USER MOD reduce.3.24.130724 H: found=0, std=0, add=934, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 935 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 61 THR OG1 : rot 180:sc= -0.306 USER MOD Set 1.2: A 105 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 60 TYR OH : rot 0:sc= -1.59 USER MOD Set 2.2: A 148 SER OG : rot -124:sc= 0.761 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0768 USER MOD Single : A 19 TYR OH : rot 180:sc= -2.38! USER MOD Single : A 21 THR OG1 : rot -29:sc= -1.77! USER MOD Single : A 27 THR OG1 : rot 170:sc= 0.0222 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot -35:sc= -6.97! USER MOD Single : A 42 GLN : amide:sc= -1.4! C(o=-1.4!,f=-4.2!) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -2.31! C(o=-2.3!,f=-2.9!) USER MOD Single : A 58 THR OG1 : rot 103:sc= 0.597 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= -2.47! USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 146:sc= -1.5 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= -6.58! C(o=-6.6!,f=-7.5!) USER MOD Single : A 81 ASN : amide:sc= -0.987 K(o=-0.99,f=-2.8!) USER MOD Single : A 85 TYR OH : rot 180:sc= -0.275 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.142 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.195 USER MOD Single : A 97 SER OG : rot 180:sc= -0.195 USER MOD Single : A 101 GLN : amide:sc= -0.455 K(o=-0.46,f=-4!) USER MOD Single : A 103 THR OG1 : rot 180:sc= -0.332 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 70:sc= 1.05 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0.0574 USER MOD Single : A 112 TYR OH : rot 4:sc= -2.36! USER MOD Single : A 124 GLN : amide:sc= -3.98! C(o=-4!,f=-11!) USER MOD Single : A 128 GLN : amide:sc= -0.552 K(o=-0.55,f=-2.5) USER MOD Single : A 133 SER OG : rot -124:sc= -0.528! USER MOD Single : A 138 THR OG1 : rot -59:sc= -1.53! USER MOD ----------------------------------------------------------------- ATOM 24 N PRO A 3 -9.425 7.433 7.601 1.00 0.00 N ATOM 25 CA PRO A 3 -8.680 6.824 6.476 1.00 0.00 C ATOM 26 C PRO A 3 -7.389 6.179 6.989 1.00 0.00 C ATOM 27 O PRO A 3 -7.278 5.825 8.147 1.00 0.00 O ATOM 28 CB PRO A 3 -8.377 8.013 5.565 1.00 0.00 C ATOM 29 CG PRO A 3 -8.391 9.210 6.462 1.00 0.00 C ATOM 30 CD PRO A 3 -9.291 8.892 7.628 1.00 0.00 C ATOM 0 HA PRO A 3 -9.232 6.036 5.964 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -7.409 7.898 5.077 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -9.123 8.104 4.776 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -7.384 9.442 6.807 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -8.754 10.087 5.926 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -8.858 9.233 8.568 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -10.260 9.381 7.527 1.00 0.00 H new ATOM 38 N ILE A 4 -6.413 6.023 6.140 1.00 0.00 N ATOM 39 CA ILE A 4 -5.131 5.402 6.581 1.00 0.00 C ATOM 40 C ILE A 4 -4.169 6.480 7.087 1.00 0.00 C ATOM 41 O ILE A 4 -2.971 6.390 6.909 1.00 0.00 O ATOM 42 CB ILE A 4 -4.566 4.725 5.332 1.00 0.00 C ATOM 43 CG1 ILE A 4 -4.493 5.743 4.191 1.00 0.00 C ATOM 44 CG2 ILE A 4 -5.474 3.566 4.923 1.00 0.00 C ATOM 45 CD1 ILE A 4 -3.422 5.312 3.188 1.00 0.00 C ATOM 0 H ILE A 4 -6.446 6.299 5.158 1.00 0.00 H new ATOM 0 HA ILE A 4 -5.275 4.694 7.397 1.00 0.00 H new ATOM 0 HB ILE A 4 -3.567 4.344 5.546 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -5.461 5.819 3.695 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -4.259 6.731 4.586 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -5.070 3.084 4.033 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -5.527 2.841 5.735 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -6.473 3.945 4.709 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -3.371 6.037 2.376 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -2.455 5.259 3.688 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.676 4.332 2.784 1.00 0.00 H new ATOM 57 N GLY A 5 -4.686 7.501 7.714 1.00 0.00 N ATOM 58 CA GLY A 5 -3.802 8.585 8.228 1.00 0.00 C ATOM 59 C GLY A 5 -3.625 9.653 7.147 1.00 0.00 C ATOM 60 O GLY A 5 -3.512 10.828 7.435 1.00 0.00 O ATOM 0 H GLY A 5 -5.682 7.631 7.892 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -4.235 9.028 9.125 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -2.833 8.175 8.512 1.00 0.00 H new ATOM 64 N GLU A 6 -3.599 9.253 5.905 1.00 0.00 N ATOM 65 CA GLU A 6 -3.429 10.246 4.805 1.00 0.00 C ATOM 66 C GLU A 6 -2.354 11.269 5.179 1.00 0.00 C ATOM 67 O GLU A 6 -2.497 12.451 4.940 1.00 0.00 O ATOM 68 CB GLU A 6 -4.792 10.926 4.671 1.00 0.00 C ATOM 69 CG GLU A 6 -4.837 11.728 3.369 1.00 0.00 C ATOM 70 CD GLU A 6 -6.289 11.883 2.914 1.00 0.00 C ATOM 71 OE1 GLU A 6 -7.128 11.156 3.420 1.00 0.00 O ATOM 72 OE2 GLU A 6 -6.537 12.726 2.067 1.00 0.00 O ATOM 0 H GLU A 6 -3.688 8.282 5.604 1.00 0.00 H new ATOM 0 HA GLU A 6 -3.113 9.779 3.872 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -5.585 10.179 4.678 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -4.967 11.584 5.522 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -4.385 12.709 3.518 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -4.255 11.223 2.598 1.00 0.00 H new ATOM 79 N GLY A 7 -1.277 10.823 5.766 1.00 0.00 N ATOM 80 CA GLY A 7 -0.194 11.770 6.155 1.00 0.00 C ATOM 81 C GLY A 7 1.135 11.298 5.567 1.00 0.00 C ATOM 82 O GLY A 7 1.242 10.203 5.052 1.00 0.00 O ATOM 0 H GLY A 7 -1.100 9.844 5.993 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.427 12.772 5.795 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.122 11.830 7.241 1.00 0.00 H new ATOM 86 N THR A 8 2.151 12.115 5.640 1.00 0.00 N ATOM 87 CA THR A 8 3.474 11.713 5.081 1.00 0.00 C ATOM 88 C THR A 8 4.251 10.868 6.095 1.00 0.00 C ATOM 89 O THR A 8 5.440 11.038 6.275 1.00 0.00 O ATOM 90 CB THR A 8 4.205 13.029 4.811 1.00 0.00 C ATOM 91 OG1 THR A 8 4.052 13.891 5.930 1.00 0.00 O ATOM 92 CG2 THR A 8 3.617 13.695 3.566 1.00 0.00 C ATOM 0 H THR A 8 2.122 13.043 6.062 1.00 0.00 H new ATOM 0 HA THR A 8 3.371 11.108 4.180 1.00 0.00 H new ATOM 0 HB THR A 8 5.264 12.831 4.647 1.00 0.00 H new ATOM 0 HG1 THR A 8 4.521 14.734 5.760 1.00 0.00 H new ATOM 0 HG21 THR A 8 4.139 14.633 3.374 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.735 13.032 2.709 1.00 0.00 H new ATOM 0 HG23 THR A 8 2.558 13.895 3.726 1.00 0.00 H new ATOM 100 N PHE A 9 3.589 9.954 6.754 1.00 0.00 N ATOM 101 CA PHE A 9 4.290 9.094 7.751 1.00 0.00 C ATOM 102 C PHE A 9 5.273 9.928 8.577 1.00 0.00 C ATOM 103 O PHE A 9 6.311 9.451 8.991 1.00 0.00 O ATOM 104 CB PHE A 9 5.040 8.053 6.916 1.00 0.00 C ATOM 105 CG PHE A 9 4.057 7.189 6.150 1.00 0.00 C ATOM 106 CD1 PHE A 9 2.681 7.281 6.404 1.00 0.00 C ATOM 107 CD2 PHE A 9 4.528 6.291 5.184 1.00 0.00 C ATOM 108 CE1 PHE A 9 1.782 6.477 5.693 1.00 0.00 C ATOM 109 CE2 PHE A 9 3.629 5.487 4.475 1.00 0.00 C ATOM 110 CZ PHE A 9 2.257 5.579 4.730 1.00 0.00 C ATOM 0 H PHE A 9 2.592 9.766 6.645 1.00 0.00 H new ATOM 0 HA PHE A 9 3.598 8.633 8.456 1.00 0.00 H new ATOM 0 HB2 PHE A 9 5.715 8.552 6.221 1.00 0.00 H new ATOM 0 HB3 PHE A 9 5.654 7.429 7.565 1.00 0.00 H new ATOM 0 HD1 PHE A 9 2.315 7.972 7.148 1.00 0.00 H new ATOM 0 HD2 PHE A 9 5.587 6.219 4.986 1.00 0.00 H new ATOM 0 HE1 PHE A 9 0.722 6.550 5.888 1.00 0.00 H new ATOM 0 HE2 PHE A 9 3.995 4.795 3.731 1.00 0.00 H new ATOM 0 HZ PHE A 9 1.564 4.957 4.184 1.00 0.00 H new ATOM 120 N ASP A 10 4.957 11.171 8.819 1.00 0.00 N ATOM 121 CA ASP A 10 5.877 12.032 9.617 1.00 0.00 C ATOM 122 C ASP A 10 5.548 11.922 11.109 1.00 0.00 C ATOM 123 O ASP A 10 5.467 12.913 11.805 1.00 0.00 O ATOM 124 CB ASP A 10 5.623 13.455 9.117 1.00 0.00 C ATOM 125 CG ASP A 10 4.232 13.912 9.561 1.00 0.00 C ATOM 126 OD1 ASP A 10 3.458 13.067 9.980 1.00 0.00 O ATOM 127 OD2 ASP A 10 3.965 15.099 9.475 1.00 0.00 O ATOM 0 H ASP A 10 4.103 11.628 8.499 1.00 0.00 H new ATOM 0 HA ASP A 10 6.920 11.738 9.500 1.00 0.00 H new ATOM 0 HB2 ASP A 10 6.382 14.131 9.511 1.00 0.00 H new ATOM 0 HB3 ASP A 10 5.699 13.489 8.030 1.00 0.00 H new ATOM 132 N ASP A 11 5.367 10.718 11.597 1.00 0.00 N ATOM 133 CA ASP A 11 5.042 10.510 13.046 1.00 0.00 C ATOM 134 C ASP A 11 4.442 9.114 13.247 1.00 0.00 C ATOM 135 O ASP A 11 4.473 8.564 14.330 1.00 0.00 O ATOM 136 CB ASP A 11 4.008 11.589 13.407 1.00 0.00 C ATOM 137 CG ASP A 11 3.233 11.173 14.661 1.00 0.00 C ATOM 138 OD1 ASP A 11 2.425 10.265 14.559 1.00 0.00 O ATOM 139 OD2 ASP A 11 3.462 11.770 15.700 1.00 0.00 O ATOM 0 H ASP A 11 5.431 9.861 11.048 1.00 0.00 H new ATOM 0 HA ASP A 11 5.929 10.584 13.675 1.00 0.00 H new ATOM 0 HB2 ASP A 11 4.509 12.542 13.578 1.00 0.00 H new ATOM 0 HB3 ASP A 11 3.319 11.736 12.576 1.00 0.00 H new ATOM 144 N GLY A 12 3.895 8.537 12.212 1.00 0.00 N ATOM 145 CA GLY A 12 3.293 7.180 12.346 1.00 0.00 C ATOM 146 C GLY A 12 2.461 6.868 11.099 1.00 0.00 C ATOM 147 O GLY A 12 1.428 7.469 10.881 1.00 0.00 O ATOM 0 H GLY A 12 3.839 8.947 11.280 1.00 0.00 H new ATOM 0 HA2 GLY A 12 4.077 6.433 12.470 1.00 0.00 H new ATOM 0 HA3 GLY A 12 2.666 7.135 13.236 1.00 0.00 H new ATOM 151 N PRO A 13 2.944 5.939 10.318 1.00 0.00 N ATOM 152 CA PRO A 13 2.238 5.542 9.075 1.00 0.00 C ATOM 153 C PRO A 13 1.033 4.653 9.395 1.00 0.00 C ATOM 154 O PRO A 13 1.054 3.466 9.150 1.00 0.00 O ATOM 155 CB PRO A 13 3.290 4.751 8.305 1.00 0.00 C ATOM 156 CG PRO A 13 4.231 4.230 9.345 1.00 0.00 C ATOM 157 CD PRO A 13 4.185 5.180 10.515 1.00 0.00 C ATOM 0 HA PRO A 13 1.849 6.395 8.519 1.00 0.00 H new ATOM 0 HB2 PRO A 13 2.835 3.936 7.742 1.00 0.00 H new ATOM 0 HB3 PRO A 13 3.810 5.384 7.586 1.00 0.00 H new ATOM 0 HG2 PRO A 13 3.942 3.226 9.655 1.00 0.00 H new ATOM 0 HG3 PRO A 13 5.243 4.162 8.946 1.00 0.00 H new ATOM 0 HD2 PRO A 13 4.176 4.643 11.463 1.00 0.00 H new ATOM 0 HD3 PRO A 13 5.055 5.837 10.529 1.00 0.00 H new ATOM 165 N GLU A 14 -0.015 5.216 9.934 1.00 0.00 N ATOM 166 CA GLU A 14 -1.221 4.397 10.263 1.00 0.00 C ATOM 167 C GLU A 14 -0.807 3.050 10.868 1.00 0.00 C ATOM 168 O GLU A 14 -0.625 2.927 12.063 1.00 0.00 O ATOM 169 CB GLU A 14 -1.935 4.192 8.926 1.00 0.00 C ATOM 170 CG GLU A 14 -3.128 3.254 9.122 1.00 0.00 C ATOM 171 CD GLU A 14 -4.096 3.866 10.137 1.00 0.00 C ATOM 172 OE1 GLU A 14 -4.757 4.831 9.788 1.00 0.00 O ATOM 173 OE2 GLU A 14 -4.162 3.358 11.244 1.00 0.00 O ATOM 0 H GLU A 14 -0.090 6.208 10.161 1.00 0.00 H new ATOM 0 HA GLU A 14 -1.862 4.885 10.998 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.273 5.150 8.532 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -1.245 3.772 8.194 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -3.636 3.091 8.172 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -2.785 2.280 9.472 1.00 0.00 H new ATOM 180 N GLY A 15 -0.656 2.040 10.053 1.00 0.00 N ATOM 181 CA GLY A 15 -0.254 0.706 10.582 1.00 0.00 C ATOM 182 C GLY A 15 0.380 -0.118 9.459 1.00 0.00 C ATOM 183 O GLY A 15 0.106 -1.292 9.307 1.00 0.00 O ATOM 0 H GLY A 15 -0.794 2.082 9.043 1.00 0.00 H new ATOM 0 HA2 GLY A 15 0.453 0.826 11.403 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -1.123 0.185 10.984 1.00 0.00 H new ATOM 187 N TRP A 16 1.225 0.489 8.671 1.00 0.00 N ATOM 188 CA TRP A 16 1.877 -0.257 7.556 1.00 0.00 C ATOM 189 C TRP A 16 2.814 -1.332 8.113 1.00 0.00 C ATOM 190 O TRP A 16 3.669 -1.058 8.932 1.00 0.00 O ATOM 191 CB TRP A 16 2.677 0.799 6.791 1.00 0.00 C ATOM 192 CG TRP A 16 1.811 1.432 5.749 1.00 0.00 C ATOM 193 CD1 TRP A 16 1.079 2.556 5.925 1.00 0.00 C ATOM 194 CD2 TRP A 16 1.579 1.003 4.375 1.00 0.00 C ATOM 195 NE1 TRP A 16 0.409 2.842 4.749 1.00 0.00 N ATOM 196 CE2 TRP A 16 0.685 1.914 3.764 1.00 0.00 C ATOM 197 CE3 TRP A 16 2.050 -0.078 3.609 1.00 0.00 C ATOM 198 CZ2 TRP A 16 0.274 1.759 2.440 1.00 0.00 C ATOM 199 CZ3 TRP A 16 1.639 -0.237 2.275 1.00 0.00 C ATOM 200 CH2 TRP A 16 0.753 0.680 1.692 1.00 0.00 C ATOM 0 H TRP A 16 1.493 1.470 8.751 1.00 0.00 H new ATOM 0 HA TRP A 16 1.151 -0.765 6.920 1.00 0.00 H new ATOM 0 HB2 TRP A 16 3.047 1.558 7.480 1.00 0.00 H new ATOM 0 HB3 TRP A 16 3.549 0.341 6.324 1.00 0.00 H new ATOM 0 HD1 TRP A 16 1.026 3.135 6.835 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -0.213 3.641 4.625 1.00 0.00 H new ATOM 0 HE3 TRP A 16 2.732 -0.791 4.049 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -0.409 2.468 1.996 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 2.008 -1.070 1.695 1.00 0.00 H new ATOM 0 HH2 TRP A 16 0.441 0.553 0.666 1.00 0.00 H new ATOM 211 N VAL A 17 2.668 -2.552 7.672 1.00 0.00 N ATOM 212 CA VAL A 17 3.563 -3.636 8.177 1.00 0.00 C ATOM 213 C VAL A 17 4.296 -4.289 7.002 1.00 0.00 C ATOM 214 O VAL A 17 3.825 -4.277 5.885 1.00 0.00 O ATOM 215 CB VAL A 17 2.644 -4.651 8.881 1.00 0.00 C ATOM 216 CG1 VAL A 17 1.505 -3.919 9.596 1.00 0.00 C ATOM 217 CG2 VAL A 17 2.054 -5.629 7.855 1.00 0.00 C ATOM 0 H VAL A 17 1.972 -2.846 6.987 1.00 0.00 H new ATOM 0 HA VAL A 17 4.321 -3.256 8.862 1.00 0.00 H new ATOM 0 HB VAL A 17 3.233 -5.206 9.611 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.860 -4.645 10.091 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.920 -3.237 10.338 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.923 -3.353 8.869 1.00 0.00 H new ATOM 0 HG21 VAL A 17 1.406 -6.343 8.364 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.475 -5.075 7.116 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.862 -6.164 7.356 1.00 0.00 H new ATOM 227 N ALA A 18 5.437 -4.866 7.249 1.00 0.00 N ATOM 228 CA ALA A 18 6.190 -5.527 6.146 1.00 0.00 C ATOM 229 C ALA A 18 6.743 -6.869 6.636 1.00 0.00 C ATOM 230 O ALA A 18 6.935 -7.074 7.818 1.00 0.00 O ATOM 231 CB ALA A 18 7.314 -4.553 5.795 1.00 0.00 C ATOM 0 H ALA A 18 5.882 -4.909 8.166 1.00 0.00 H new ATOM 0 HA ALA A 18 5.570 -5.742 5.275 1.00 0.00 H new ATOM 0 HB1 ALA A 18 7.917 -4.969 4.987 1.00 0.00 H new ATOM 0 HB2 ALA A 18 6.886 -3.603 5.476 1.00 0.00 H new ATOM 0 HB3 ALA A 18 7.943 -4.392 6.671 1.00 0.00 H new ATOM 237 N TYR A 19 6.978 -7.794 5.745 1.00 0.00 N ATOM 238 CA TYR A 19 7.492 -9.130 6.181 1.00 0.00 C ATOM 239 C TYR A 19 8.568 -9.650 5.218 1.00 0.00 C ATOM 240 O TYR A 19 8.453 -9.530 4.013 1.00 0.00 O ATOM 241 CB TYR A 19 6.267 -10.061 6.177 1.00 0.00 C ATOM 242 CG TYR A 19 5.266 -9.621 5.126 1.00 0.00 C ATOM 243 CD1 TYR A 19 4.353 -8.595 5.408 1.00 0.00 C ATOM 244 CD2 TYR A 19 5.255 -10.238 3.869 1.00 0.00 C ATOM 245 CE1 TYR A 19 3.432 -8.190 4.435 1.00 0.00 C ATOM 246 CE2 TYR A 19 4.333 -9.833 2.897 1.00 0.00 C ATOM 247 CZ TYR A 19 3.422 -8.809 3.179 1.00 0.00 C ATOM 248 OH TYR A 19 2.514 -8.409 2.220 1.00 0.00 O ATOM 0 H TYR A 19 6.838 -7.687 4.740 1.00 0.00 H new ATOM 0 HA TYR A 19 7.960 -9.076 7.164 1.00 0.00 H new ATOM 0 HB2 TYR A 19 6.583 -11.086 5.980 1.00 0.00 H new ATOM 0 HB3 TYR A 19 5.796 -10.056 7.160 1.00 0.00 H new ATOM 0 HD1 TYR A 19 4.360 -8.117 6.376 1.00 0.00 H new ATOM 0 HD2 TYR A 19 5.959 -11.027 3.649 1.00 0.00 H new ATOM 0 HE1 TYR A 19 2.729 -7.400 4.653 1.00 0.00 H new ATOM 0 HE2 TYR A 19 4.325 -10.311 1.929 1.00 0.00 H new ATOM 0 HH TYR A 19 2.643 -8.939 1.406 1.00 0.00 H new ATOM 258 N GLY A 20 9.615 -10.229 5.753 1.00 0.00 N ATOM 259 CA GLY A 20 10.712 -10.766 4.895 1.00 0.00 C ATOM 260 C GLY A 20 12.029 -10.082 5.270 1.00 0.00 C ATOM 261 O GLY A 20 12.440 -9.117 4.658 1.00 0.00 O ATOM 0 H GLY A 20 9.756 -10.353 6.756 1.00 0.00 H new ATOM 0 HA2 GLY A 20 10.798 -11.844 5.028 1.00 0.00 H new ATOM 0 HA3 GLY A 20 10.485 -10.592 3.843 1.00 0.00 H new ATOM 265 N THR A 21 12.689 -10.582 6.276 1.00 0.00 N ATOM 266 CA THR A 21 13.988 -9.983 6.715 1.00 0.00 C ATOM 267 C THR A 21 13.840 -8.480 6.969 1.00 0.00 C ATOM 268 O THR A 21 14.813 -7.757 7.037 1.00 0.00 O ATOM 269 CB THR A 21 14.970 -10.229 5.563 1.00 0.00 C ATOM 270 OG1 THR A 21 14.847 -9.186 4.609 1.00 0.00 O ATOM 271 CG2 THR A 21 14.671 -11.573 4.895 1.00 0.00 C ATOM 0 H THR A 21 12.384 -11.388 6.821 1.00 0.00 H new ATOM 0 HA THR A 21 14.332 -10.430 7.648 1.00 0.00 H new ATOM 0 HB THR A 21 15.986 -10.248 5.957 1.00 0.00 H new ATOM 0 HG1 THR A 21 13.934 -8.831 4.628 1.00 0.00 H new ATOM 0 HG21 THR A 21 15.374 -11.738 4.078 1.00 0.00 H new ATOM 0 HG22 THR A 21 14.772 -12.374 5.628 1.00 0.00 H new ATOM 0 HG23 THR A 21 13.654 -11.566 4.503 1.00 0.00 H new ATOM 279 N ASP A 22 12.636 -8.005 7.127 1.00 0.00 N ATOM 280 CA ASP A 22 12.447 -6.550 7.396 1.00 0.00 C ATOM 281 C ASP A 22 12.172 -6.317 8.882 1.00 0.00 C ATOM 282 O ASP A 22 11.133 -6.681 9.396 1.00 0.00 O ATOM 283 CB ASP A 22 11.241 -6.119 6.559 1.00 0.00 C ATOM 284 CG ASP A 22 10.118 -7.152 6.666 1.00 0.00 C ATOM 285 OD1 ASP A 22 10.035 -7.810 7.690 1.00 0.00 O ATOM 286 OD2 ASP A 22 9.355 -7.264 5.721 1.00 0.00 O ATOM 0 H ASP A 22 11.779 -8.556 7.082 1.00 0.00 H new ATOM 0 HA ASP A 22 13.337 -5.977 7.137 1.00 0.00 H new ATOM 0 HB2 ASP A 22 10.883 -5.147 6.900 1.00 0.00 H new ATOM 0 HB3 ASP A 22 11.537 -6.002 5.517 1.00 0.00 H new ATOM 291 N GLY A 23 13.091 -5.707 9.577 1.00 0.00 N ATOM 292 CA GLY A 23 12.873 -5.447 11.026 1.00 0.00 C ATOM 293 C GLY A 23 11.629 -4.576 11.194 1.00 0.00 C ATOM 294 O GLY A 23 10.739 -4.599 10.367 1.00 0.00 O ATOM 0 H GLY A 23 13.982 -5.378 9.205 1.00 0.00 H new ATOM 0 HA2 GLY A 23 12.749 -6.388 11.563 1.00 0.00 H new ATOM 0 HA3 GLY A 23 13.742 -4.948 11.454 1.00 0.00 H new ATOM 298 N PRO A 24 11.608 -3.829 12.261 1.00 0.00 N ATOM 299 CA PRO A 24 10.459 -2.936 12.538 1.00 0.00 C ATOM 300 C PRO A 24 10.498 -1.717 11.612 1.00 0.00 C ATOM 301 O PRO A 24 11.165 -0.740 11.890 1.00 0.00 O ATOM 302 CB PRO A 24 10.671 -2.522 13.991 1.00 0.00 C ATOM 303 CG PRO A 24 12.141 -2.668 14.229 1.00 0.00 C ATOM 304 CD PRO A 24 12.640 -3.747 13.301 1.00 0.00 C ATOM 0 HA PRO A 24 9.493 -3.413 12.373 1.00 0.00 H new ATOM 0 HB2 PRO A 24 10.345 -1.496 14.160 1.00 0.00 H new ATOM 0 HB3 PRO A 24 10.097 -3.155 14.669 1.00 0.00 H new ATOM 0 HG2 PRO A 24 12.657 -1.727 14.037 1.00 0.00 H new ATOM 0 HG3 PRO A 24 12.338 -2.933 15.268 1.00 0.00 H new ATOM 0 HD2 PRO A 24 13.612 -3.492 12.879 1.00 0.00 H new ATOM 0 HD3 PRO A 24 12.758 -4.697 13.821 1.00 0.00 H new ATOM 312 N LEU A 25 9.786 -1.766 10.514 1.00 0.00 N ATOM 313 CA LEU A 25 9.779 -0.607 9.572 1.00 0.00 C ATOM 314 C LEU A 25 9.729 0.703 10.363 1.00 0.00 C ATOM 315 O LEU A 25 9.198 0.755 11.454 1.00 0.00 O ATOM 316 CB LEU A 25 8.512 -0.784 8.732 1.00 0.00 C ATOM 317 CG LEU A 25 7.288 -0.822 9.647 1.00 0.00 C ATOM 318 CD1 LEU A 25 6.093 -0.204 8.920 1.00 0.00 C ATOM 319 CD2 LEU A 25 6.965 -2.274 10.008 1.00 0.00 C ATOM 0 H LEU A 25 9.210 -2.558 10.230 1.00 0.00 H new ATOM 0 HA LEU A 25 10.672 -0.569 8.948 1.00 0.00 H new ATOM 0 HB2 LEU A 25 8.420 0.035 8.019 1.00 0.00 H new ATOM 0 HB3 LEU A 25 8.574 -1.705 8.153 1.00 0.00 H new ATOM 0 HG LEU A 25 7.496 -0.258 10.556 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.219 -0.230 9.570 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.321 0.829 8.659 1.00 0.00 H new ATOM 0 HD13 LEU A 25 5.887 -0.771 8.012 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.092 -2.301 10.660 1.00 0.00 H new ATOM 0 HD22 LEU A 25 6.756 -2.837 9.098 1.00 0.00 H new ATOM 0 HD23 LEU A 25 7.817 -2.719 10.523 1.00 0.00 H new ATOM 331 N ASP A 26 10.285 1.760 9.835 1.00 0.00 N ATOM 332 CA ASP A 26 10.267 3.051 10.584 1.00 0.00 C ATOM 333 C ASP A 26 10.169 4.235 9.621 1.00 0.00 C ATOM 334 O ASP A 26 10.474 4.124 8.453 1.00 0.00 O ATOM 335 CB ASP A 26 11.597 3.085 11.339 1.00 0.00 C ATOM 336 CG ASP A 26 12.739 3.324 10.350 1.00 0.00 C ATOM 337 OD1 ASP A 26 13.055 4.478 10.109 1.00 0.00 O ATOM 338 OD2 ASP A 26 13.279 2.351 9.851 1.00 0.00 O ATOM 0 H ASP A 26 10.747 1.787 8.926 1.00 0.00 H new ATOM 0 HA ASP A 26 9.410 3.123 11.253 1.00 0.00 H new ATOM 0 HB2 ASP A 26 11.581 3.875 12.090 1.00 0.00 H new ATOM 0 HB3 ASP A 26 11.751 2.145 11.868 1.00 0.00 H new ATOM 343 N THR A 27 9.743 5.369 10.106 1.00 0.00 N ATOM 344 CA THR A 27 9.622 6.559 9.223 1.00 0.00 C ATOM 345 C THR A 27 10.520 7.690 9.735 1.00 0.00 C ATOM 346 O THR A 27 11.361 8.199 9.022 1.00 0.00 O ATOM 347 CB THR A 27 8.151 6.957 9.316 1.00 0.00 C ATOM 348 OG1 THR A 27 7.713 6.830 10.662 1.00 0.00 O ATOM 349 CG2 THR A 27 7.316 6.044 8.418 1.00 0.00 C ATOM 0 H THR A 27 9.473 5.521 11.078 1.00 0.00 H new ATOM 0 HA THR A 27 9.929 6.353 8.198 1.00 0.00 H new ATOM 0 HB THR A 27 8.032 7.990 8.990 1.00 0.00 H new ATOM 0 HG1 THR A 27 6.825 7.234 10.757 1.00 0.00 H new ATOM 0 HG21 THR A 27 6.266 6.329 8.485 1.00 0.00 H new ATOM 0 HG22 THR A 27 7.653 6.141 7.386 1.00 0.00 H new ATOM 0 HG23 THR A 27 7.433 5.010 8.742 1.00 0.00 H new ATOM 357 N SER A 28 10.348 8.084 10.968 1.00 0.00 N ATOM 358 CA SER A 28 11.192 9.179 11.526 1.00 0.00 C ATOM 359 C SER A 28 11.185 10.386 10.583 1.00 0.00 C ATOM 360 O SER A 28 10.359 11.269 10.696 1.00 0.00 O ATOM 361 CB SER A 28 12.595 8.585 11.626 1.00 0.00 C ATOM 362 OG SER A 28 12.821 8.135 12.956 1.00 0.00 O ATOM 0 H SER A 28 9.660 7.695 11.613 1.00 0.00 H new ATOM 0 HA SER A 28 10.828 9.530 12.492 1.00 0.00 H new ATOM 0 HB2 SER A 28 12.702 7.756 10.926 1.00 0.00 H new ATOM 0 HB3 SER A 28 13.339 9.332 11.351 1.00 0.00 H new ATOM 0 HG SER A 28 13.720 7.751 13.023 1.00 0.00 H new ATOM 368 N THR A 29 12.099 10.429 9.652 1.00 0.00 N ATOM 369 CA THR A 29 12.143 11.579 8.704 1.00 0.00 C ATOM 370 C THR A 29 10.792 11.734 7.999 1.00 0.00 C ATOM 371 O THR A 29 10.494 12.764 7.428 1.00 0.00 O ATOM 372 CB THR A 29 13.237 11.221 7.696 1.00 0.00 C ATOM 373 OG1 THR A 29 13.486 12.338 6.854 1.00 0.00 O ATOM 374 CG2 THR A 29 12.785 10.031 6.848 1.00 0.00 C ATOM 0 H THR A 29 12.816 9.719 9.507 1.00 0.00 H new ATOM 0 HA THR A 29 12.348 12.523 9.209 1.00 0.00 H new ATOM 0 HB THR A 29 14.150 10.956 8.230 1.00 0.00 H new ATOM 0 HG1 THR A 29 14.188 12.111 6.209 1.00 0.00 H new ATOM 0 HG21 THR A 29 13.566 9.778 6.131 1.00 0.00 H new ATOM 0 HG22 THR A 29 12.595 9.175 7.495 1.00 0.00 H new ATOM 0 HG23 THR A 29 11.872 10.291 6.313 1.00 0.00 H new ATOM 382 N GLY A 30 9.974 10.718 8.035 1.00 0.00 N ATOM 383 CA GLY A 30 8.645 10.808 7.367 1.00 0.00 C ATOM 384 C GLY A 30 8.617 9.869 6.160 1.00 0.00 C ATOM 385 O GLY A 30 7.974 10.140 5.166 1.00 0.00 O ATOM 0 H GLY A 30 10.168 9.830 8.498 1.00 0.00 H new ATOM 0 HA2 GLY A 30 7.855 10.540 8.068 1.00 0.00 H new ATOM 0 HA3 GLY A 30 8.455 11.833 7.049 1.00 0.00 H new ATOM 389 N ALA A 31 9.309 8.766 6.239 1.00 0.00 N ATOM 390 CA ALA A 31 9.322 7.810 5.095 1.00 0.00 C ATOM 391 C ALA A 31 9.275 6.368 5.608 1.00 0.00 C ATOM 392 O ALA A 31 10.225 5.871 6.180 1.00 0.00 O ATOM 393 CB ALA A 31 10.641 8.079 4.370 1.00 0.00 C ATOM 0 H ALA A 31 9.866 8.485 7.046 1.00 0.00 H new ATOM 0 HA ALA A 31 8.462 7.940 4.439 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.727 7.413 3.512 1.00 0.00 H new ATOM 0 HB2 ALA A 31 10.664 9.114 4.029 1.00 0.00 H new ATOM 0 HB3 ALA A 31 11.473 7.902 5.051 1.00 0.00 H new ATOM 399 N LEU A 32 8.177 5.692 5.405 1.00 0.00 N ATOM 400 CA LEU A 32 8.072 4.282 5.880 1.00 0.00 C ATOM 401 C LEU A 32 9.031 3.391 5.089 1.00 0.00 C ATOM 402 O LEU A 32 8.708 2.908 4.022 1.00 0.00 O ATOM 403 CB LEU A 32 6.623 3.875 5.613 1.00 0.00 C ATOM 404 CG LEU A 32 6.401 2.443 6.102 1.00 0.00 C ATOM 405 CD1 LEU A 32 5.390 2.447 7.249 1.00 0.00 C ATOM 406 CD2 LEU A 32 5.863 1.587 4.952 1.00 0.00 C ATOM 0 H LEU A 32 7.349 6.054 4.932 1.00 0.00 H new ATOM 0 HA LEU A 32 8.333 4.181 6.933 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.942 4.556 6.124 1.00 0.00 H new ATOM 0 HB3 LEU A 32 6.404 3.946 4.548 1.00 0.00 H new ATOM 0 HG LEU A 32 7.347 2.029 6.452 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.231 1.427 7.598 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.772 3.055 8.069 1.00 0.00 H new ATOM 0 HD13 LEU A 32 4.445 2.862 6.899 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.705 0.567 5.301 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.918 2.001 4.602 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.583 1.583 4.134 1.00 0.00 H new ATOM 418 N CYS A 33 10.208 3.173 5.602 1.00 0.00 N ATOM 419 CA CYS A 33 11.188 2.320 4.876 1.00 0.00 C ATOM 420 C CYS A 33 11.196 0.901 5.451 1.00 0.00 C ATOM 421 O CYS A 33 11.250 0.704 6.652 1.00 0.00 O ATOM 422 CB CYS A 33 12.541 2.996 5.098 1.00 0.00 C ATOM 423 SG CYS A 33 12.644 4.488 4.079 1.00 0.00 S ATOM 0 H CYS A 33 10.534 3.548 6.493 1.00 0.00 H new ATOM 0 HA CYS A 33 10.945 2.227 3.818 1.00 0.00 H new ATOM 0 HB2 CYS A 33 12.663 3.252 6.150 1.00 0.00 H new ATOM 0 HB3 CYS A 33 13.349 2.311 4.841 1.00 0.00 H new ATOM 428 N VAL A 34 11.151 -0.087 4.597 1.00 0.00 N ATOM 429 CA VAL A 34 11.168 -1.499 5.073 1.00 0.00 C ATOM 430 C VAL A 34 12.367 -2.228 4.460 1.00 0.00 C ATOM 431 O VAL A 34 13.008 -1.726 3.556 1.00 0.00 O ATOM 432 CB VAL A 34 9.851 -2.100 4.586 1.00 0.00 C ATOM 433 CG1 VAL A 34 8.704 -1.561 5.444 1.00 0.00 C ATOM 434 CG2 VAL A 34 9.622 -1.710 3.124 1.00 0.00 C ATOM 0 H VAL A 34 11.103 0.025 3.584 1.00 0.00 H new ATOM 0 HA VAL A 34 11.263 -1.580 6.156 1.00 0.00 H new ATOM 0 HB VAL A 34 9.891 -3.186 4.668 1.00 0.00 H new ATOM 0 HG11 VAL A 34 7.761 -1.987 5.100 1.00 0.00 H new ATOM 0 HG12 VAL A 34 8.868 -1.836 6.486 1.00 0.00 H new ATOM 0 HG13 VAL A 34 8.664 -0.475 5.358 1.00 0.00 H new ATOM 0 HG21 VAL A 34 8.682 -2.139 2.776 1.00 0.00 H new ATOM 0 HG22 VAL A 34 9.579 -0.624 3.040 1.00 0.00 H new ATOM 0 HG23 VAL A 34 10.442 -2.089 2.514 1.00 0.00 H new ATOM 444 N ALA A 35 12.693 -3.393 4.953 1.00 0.00 N ATOM 445 CA ALA A 35 13.873 -4.125 4.406 1.00 0.00 C ATOM 446 C ALA A 35 13.455 -5.268 3.476 1.00 0.00 C ATOM 447 O ALA A 35 12.663 -6.116 3.826 1.00 0.00 O ATOM 448 CB ALA A 35 14.581 -4.684 5.638 1.00 0.00 C ATOM 0 H ALA A 35 12.196 -3.868 5.707 1.00 0.00 H new ATOM 0 HA ALA A 35 14.506 -3.469 3.809 1.00 0.00 H new ATOM 0 HB1 ALA A 35 15.466 -5.240 5.328 1.00 0.00 H new ATOM 0 HB2 ALA A 35 14.879 -3.863 6.290 1.00 0.00 H new ATOM 0 HB3 ALA A 35 13.905 -5.348 6.176 1.00 0.00 H new ATOM 454 N VAL A 36 14.010 -5.309 2.298 1.00 0.00 N ATOM 455 CA VAL A 36 13.675 -6.409 1.352 1.00 0.00 C ATOM 456 C VAL A 36 14.945 -7.221 1.060 1.00 0.00 C ATOM 457 O VAL A 36 15.935 -6.679 0.607 1.00 0.00 O ATOM 458 CB VAL A 36 13.159 -5.711 0.094 1.00 0.00 C ATOM 459 CG1 VAL A 36 12.811 -6.756 -0.963 1.00 0.00 C ATOM 460 CG2 VAL A 36 11.902 -4.906 0.438 1.00 0.00 C ATOM 0 H VAL A 36 14.683 -4.627 1.948 1.00 0.00 H new ATOM 0 HA VAL A 36 12.932 -7.102 1.745 1.00 0.00 H new ATOM 0 HB VAL A 36 13.930 -5.043 -0.291 1.00 0.00 H new ATOM 0 HG11 VAL A 36 12.443 -6.258 -1.860 1.00 0.00 H new ATOM 0 HG12 VAL A 36 13.701 -7.335 -1.209 1.00 0.00 H new ATOM 0 HG13 VAL A 36 12.040 -7.422 -0.576 1.00 0.00 H new ATOM 0 HG21 VAL A 36 11.533 -4.407 -0.458 1.00 0.00 H new ATOM 0 HG22 VAL A 36 11.134 -5.577 0.823 1.00 0.00 H new ATOM 0 HG23 VAL A 36 12.144 -4.160 1.195 1.00 0.00 H new ATOM 470 N PRO A 37 14.882 -8.493 1.356 1.00 0.00 N ATOM 471 CA PRO A 37 16.054 -9.393 1.155 1.00 0.00 C ATOM 472 C PRO A 37 16.438 -9.523 -0.325 1.00 0.00 C ATOM 473 O PRO A 37 15.773 -9.011 -1.204 1.00 0.00 O ATOM 474 CB PRO A 37 15.579 -10.727 1.732 1.00 0.00 C ATOM 475 CG PRO A 37 14.089 -10.661 1.662 1.00 0.00 C ATOM 476 CD PRO A 37 13.725 -9.219 1.894 1.00 0.00 C ATOM 0 HA PRO A 37 16.956 -9.016 1.637 1.00 0.00 H new ATOM 0 HB2 PRO A 37 15.966 -11.568 1.156 1.00 0.00 H new ATOM 0 HB3 PRO A 37 15.922 -10.859 2.758 1.00 0.00 H new ATOM 0 HG2 PRO A 37 13.729 -11.003 0.692 1.00 0.00 H new ATOM 0 HG3 PRO A 37 13.634 -11.304 2.416 1.00 0.00 H new ATOM 0 HD2 PRO A 37 12.804 -8.948 1.379 1.00 0.00 H new ATOM 0 HD3 PRO A 37 13.572 -9.007 2.952 1.00 0.00 H new ATOM 484 N ALA A 38 17.531 -10.196 -0.593 1.00 0.00 N ATOM 485 CA ALA A 38 18.004 -10.361 -2.002 1.00 0.00 C ATOM 486 C ALA A 38 16.904 -10.928 -2.898 1.00 0.00 C ATOM 487 O ALA A 38 16.377 -11.996 -2.658 1.00 0.00 O ATOM 488 CB ALA A 38 19.176 -11.338 -1.915 1.00 0.00 C ATOM 0 H ALA A 38 18.120 -10.641 0.111 1.00 0.00 H new ATOM 0 HA ALA A 38 18.290 -9.405 -2.440 1.00 0.00 H new ATOM 0 HB1 ALA A 38 19.580 -11.512 -2.912 1.00 0.00 H new ATOM 0 HB2 ALA A 38 19.953 -10.918 -1.277 1.00 0.00 H new ATOM 0 HB3 ALA A 38 18.832 -12.282 -1.494 1.00 0.00 H new ATOM 494 N GLY A 39 16.567 -10.214 -3.938 1.00 0.00 N ATOM 495 CA GLY A 39 15.510 -10.681 -4.883 1.00 0.00 C ATOM 496 C GLY A 39 14.377 -11.372 -4.123 1.00 0.00 C ATOM 497 O GLY A 39 13.701 -12.220 -4.669 1.00 0.00 O ATOM 0 H GLY A 39 16.985 -9.315 -4.177 1.00 0.00 H new ATOM 0 HA2 GLY A 39 15.115 -9.834 -5.444 1.00 0.00 H new ATOM 0 HA3 GLY A 39 15.942 -11.370 -5.609 1.00 0.00 H new ATOM 501 N SER A 40 14.163 -11.017 -2.876 1.00 0.00 N ATOM 502 CA SER A 40 13.071 -11.659 -2.077 1.00 0.00 C ATOM 503 C SER A 40 12.892 -13.116 -2.505 1.00 0.00 C ATOM 504 O SER A 40 11.794 -13.583 -2.733 1.00 0.00 O ATOM 505 CB SER A 40 11.815 -10.848 -2.389 1.00 0.00 C ATOM 506 OG SER A 40 10.687 -11.477 -1.791 1.00 0.00 O ATOM 0 H SER A 40 14.700 -10.308 -2.377 1.00 0.00 H new ATOM 0 HA SER A 40 13.292 -11.666 -1.010 1.00 0.00 H new ATOM 0 HB2 SER A 40 11.922 -9.831 -2.011 1.00 0.00 H new ATOM 0 HB3 SER A 40 11.675 -10.774 -3.467 1.00 0.00 H new ATOM 0 HG SER A 40 10.802 -12.450 -1.819 1.00 0.00 H new ATOM 512 N ALA A 41 13.974 -13.827 -2.629 1.00 0.00 N ATOM 513 CA ALA A 41 13.894 -15.252 -3.059 1.00 0.00 C ATOM 514 C ALA A 41 13.743 -16.160 -1.842 1.00 0.00 C ATOM 515 O ALA A 41 14.591 -16.185 -0.982 1.00 0.00 O ATOM 516 CB ALA A 41 15.217 -15.527 -3.772 1.00 0.00 C ATOM 0 H ALA A 41 14.917 -13.482 -2.450 1.00 0.00 H new ATOM 0 HA ALA A 41 13.037 -15.441 -3.706 1.00 0.00 H new ATOM 0 HB1 ALA A 41 15.235 -16.560 -4.120 1.00 0.00 H new ATOM 0 HB2 ALA A 41 15.317 -14.855 -4.625 1.00 0.00 H new ATOM 0 HB3 ALA A 41 16.044 -15.362 -3.081 1.00 0.00 H new ATOM 522 N GLN A 42 12.654 -16.886 -1.783 1.00 0.00 N ATOM 523 CA GLN A 42 12.367 -17.819 -0.634 1.00 0.00 C ATOM 524 C GLN A 42 11.732 -17.026 0.499 1.00 0.00 C ATOM 525 O GLN A 42 11.893 -17.341 1.662 1.00 0.00 O ATOM 526 CB GLN A 42 13.713 -18.429 -0.175 1.00 0.00 C ATOM 527 CG GLN A 42 14.332 -17.621 0.993 1.00 0.00 C ATOM 528 CD GLN A 42 15.857 -17.634 0.872 1.00 0.00 C ATOM 529 OE1 GLN A 42 16.400 -18.226 -0.040 1.00 0.00 O ATOM 530 NE2 GLN A 42 16.575 -17.002 1.759 1.00 0.00 N ATOM 0 H GLN A 42 11.929 -16.874 -2.500 1.00 0.00 H new ATOM 0 HA GLN A 42 11.682 -18.613 -0.931 1.00 0.00 H new ATOM 0 HB2 GLN A 42 13.558 -19.462 0.137 1.00 0.00 H new ATOM 0 HB3 GLN A 42 14.409 -18.450 -1.014 1.00 0.00 H new ATOM 0 HG2 GLN A 42 13.964 -16.595 0.974 1.00 0.00 H new ATOM 0 HG3 GLN A 42 14.029 -18.051 1.947 1.00 0.00 H new ATOM 0 HE21 GLN A 42 16.119 -16.505 2.524 1.00 0.00 H new ATOM 0 HE22 GLN A 42 17.592 -17.005 1.687 1.00 0.00 H new ATOM 539 N TYR A 43 11.044 -15.980 0.177 1.00 0.00 N ATOM 540 CA TYR A 43 10.452 -15.158 1.255 1.00 0.00 C ATOM 541 C TYR A 43 9.121 -14.546 0.850 1.00 0.00 C ATOM 542 O TYR A 43 8.260 -14.330 1.679 1.00 0.00 O ATOM 543 CB TYR A 43 11.473 -14.048 1.465 1.00 0.00 C ATOM 544 CG TYR A 43 11.950 -14.078 2.885 1.00 0.00 C ATOM 545 CD1 TYR A 43 11.025 -14.023 3.928 1.00 0.00 C ATOM 546 CD2 TYR A 43 13.315 -14.162 3.157 1.00 0.00 C ATOM 547 CE1 TYR A 43 11.465 -14.052 5.251 1.00 0.00 C ATOM 548 CE2 TYR A 43 13.760 -14.191 4.477 1.00 0.00 C ATOM 549 CZ TYR A 43 12.836 -14.136 5.530 1.00 0.00 C ATOM 550 OH TYR A 43 13.275 -14.166 6.838 1.00 0.00 O ATOM 0 H TYR A 43 10.866 -15.659 -0.775 1.00 0.00 H new ATOM 0 HA TYR A 43 10.250 -15.755 2.144 1.00 0.00 H new ATOM 0 HB2 TYR A 43 12.314 -14.178 0.784 1.00 0.00 H new ATOM 0 HB3 TYR A 43 11.026 -13.080 1.239 1.00 0.00 H new ATOM 0 HD1 TYR A 43 9.969 -13.958 3.711 1.00 0.00 H new ATOM 0 HD2 TYR A 43 14.026 -14.205 2.346 1.00 0.00 H new ATOM 0 HE1 TYR A 43 10.750 -14.010 6.060 1.00 0.00 H new ATOM 0 HE2 TYR A 43 14.817 -14.256 4.689 1.00 0.00 H new ATOM 0 HH TYR A 43 14.253 -14.227 6.854 1.00 0.00 H new ATOM 560 N GLY A 44 8.949 -14.208 -0.395 1.00 0.00 N ATOM 561 CA GLY A 44 7.675 -13.550 -0.771 1.00 0.00 C ATOM 562 C GLY A 44 7.511 -12.379 0.192 1.00 0.00 C ATOM 563 O GLY A 44 6.754 -12.439 1.140 1.00 0.00 O ATOM 0 H GLY A 44 9.618 -14.355 -1.151 1.00 0.00 H new ATOM 0 HA2 GLY A 44 7.703 -13.205 -1.805 1.00 0.00 H new ATOM 0 HA3 GLY A 44 6.838 -14.243 -0.689 1.00 0.00 H new ATOM 567 N VAL A 45 8.257 -11.331 -0.019 1.00 0.00 N ATOM 568 CA VAL A 45 8.196 -10.176 0.908 1.00 0.00 C ATOM 569 C VAL A 45 7.063 -9.259 0.488 1.00 0.00 C ATOM 570 O VAL A 45 6.590 -9.321 -0.626 1.00 0.00 O ATOM 571 CB VAL A 45 9.545 -9.454 0.747 1.00 0.00 C ATOM 572 CG1 VAL A 45 9.800 -8.571 1.969 1.00 0.00 C ATOM 573 CG2 VAL A 45 10.699 -10.465 0.606 1.00 0.00 C ATOM 0 H VAL A 45 8.908 -11.228 -0.798 1.00 0.00 H new ATOM 0 HA VAL A 45 8.021 -10.478 1.941 1.00 0.00 H new ATOM 0 HB VAL A 45 9.502 -8.845 -0.156 1.00 0.00 H new ATOM 0 HG11 VAL A 45 10.756 -8.059 1.855 1.00 0.00 H new ATOM 0 HG12 VAL A 45 9.002 -7.834 2.058 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.824 -9.190 2.866 1.00 0.00 H new ATOM 0 HG21 VAL A 45 11.641 -9.928 0.494 1.00 0.00 H new ATOM 0 HG22 VAL A 45 10.743 -11.093 1.496 1.00 0.00 H new ATOM 0 HG23 VAL A 45 10.530 -11.090 -0.271 1.00 0.00 H new ATOM 583 N GLY A 46 6.611 -8.419 1.372 1.00 0.00 N ATOM 584 CA GLY A 46 5.492 -7.509 1.008 1.00 0.00 C ATOM 585 C GLY A 46 5.078 -6.677 2.219 1.00 0.00 C ATOM 586 O GLY A 46 5.423 -6.980 3.344 1.00 0.00 O ATOM 0 H GLY A 46 6.964 -8.322 2.324 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.797 -6.853 0.193 1.00 0.00 H new ATOM 0 HA3 GLY A 46 4.643 -8.090 0.648 1.00 0.00 H new ATOM 590 N VAL A 47 4.334 -5.631 1.994 1.00 0.00 N ATOM 591 CA VAL A 47 3.887 -4.774 3.125 1.00 0.00 C ATOM 592 C VAL A 47 2.359 -4.659 3.111 1.00 0.00 C ATOM 593 O VAL A 47 1.764 -4.295 2.118 1.00 0.00 O ATOM 594 CB VAL A 47 4.544 -3.417 2.872 1.00 0.00 C ATOM 595 CG1 VAL A 47 4.351 -2.517 4.091 1.00 0.00 C ATOM 596 CG2 VAL A 47 6.041 -3.615 2.626 1.00 0.00 C ATOM 0 H VAL A 47 4.015 -5.332 1.072 1.00 0.00 H new ATOM 0 HA VAL A 47 4.165 -5.177 4.099 1.00 0.00 H new ATOM 0 HB VAL A 47 4.085 -2.952 2.000 1.00 0.00 H new ATOM 0 HG11 VAL A 47 4.820 -1.550 3.908 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.286 -2.374 4.273 1.00 0.00 H new ATOM 0 HG13 VAL A 47 4.809 -2.983 4.963 1.00 0.00 H new ATOM 0 HG21 VAL A 47 6.511 -2.648 2.445 1.00 0.00 H new ATOM 0 HG22 VAL A 47 6.495 -4.081 3.500 1.00 0.00 H new ATOM 0 HG23 VAL A 47 6.185 -4.257 1.757 1.00 0.00 H new ATOM 606 N VAL A 48 1.716 -4.980 4.200 1.00 0.00 N ATOM 607 CA VAL A 48 0.227 -4.901 4.230 1.00 0.00 C ATOM 608 C VAL A 48 -0.245 -3.916 5.304 1.00 0.00 C ATOM 609 O VAL A 48 0.296 -3.858 6.390 1.00 0.00 O ATOM 610 CB VAL A 48 -0.230 -6.321 4.563 1.00 0.00 C ATOM 611 CG1 VAL A 48 0.254 -7.281 3.475 1.00 0.00 C ATOM 612 CG2 VAL A 48 0.361 -6.745 5.910 1.00 0.00 C ATOM 0 H VAL A 48 2.154 -5.292 5.067 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.184 -4.545 3.285 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.318 -6.348 4.617 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.072 -8.294 3.712 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.163 -6.981 2.514 1.00 0.00 H new ATOM 0 HG13 VAL A 48 1.342 -7.253 3.423 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.035 -7.758 6.148 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.449 -6.718 5.855 1.00 0.00 H new ATOM 0 HG23 VAL A 48 0.020 -6.062 6.688 1.00 0.00 H new ATOM 622 N LEU A 49 -1.255 -3.142 5.006 1.00 0.00 N ATOM 623 CA LEU A 49 -1.769 -2.161 6.006 1.00 0.00 C ATOM 624 C LEU A 49 -3.294 -2.260 6.104 1.00 0.00 C ATOM 625 O LEU A 49 -4.013 -1.716 5.289 1.00 0.00 O ATOM 626 CB LEU A 49 -1.356 -0.789 5.468 1.00 0.00 C ATOM 627 CG LEU A 49 -2.154 0.304 6.183 1.00 0.00 C ATOM 628 CD1 LEU A 49 -1.699 0.398 7.640 1.00 0.00 C ATOM 629 CD2 LEU A 49 -1.914 1.647 5.489 1.00 0.00 C ATOM 0 H LEU A 49 -1.747 -3.147 4.112 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.371 -2.343 7.004 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.288 -0.633 5.622 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.534 -0.740 4.394 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.216 0.059 6.148 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.267 1.176 8.149 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.868 -0.558 8.136 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -0.637 0.642 7.675 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.482 2.426 5.998 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.852 1.890 5.525 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.237 1.582 4.450 1.00 0.00 H new ATOM 641 N ASN A 50 -3.793 -2.949 7.094 1.00 0.00 N ATOM 642 CA ASN A 50 -5.271 -3.081 7.243 1.00 0.00 C ATOM 643 C ASN A 50 -5.878 -1.765 7.738 1.00 0.00 C ATOM 644 O ASN A 50 -5.528 -1.267 8.789 1.00 0.00 O ATOM 645 CB ASN A 50 -5.466 -4.186 8.282 1.00 0.00 C ATOM 646 CG ASN A 50 -4.727 -3.814 9.568 1.00 0.00 C ATOM 647 OD1 ASN A 50 -5.211 -3.025 10.355 1.00 0.00 O ATOM 648 ND2 ASN A 50 -3.564 -4.352 9.817 1.00 0.00 N ATOM 0 H ASN A 50 -3.241 -3.427 7.807 1.00 0.00 H new ATOM 0 HA ASN A 50 -5.760 -3.317 6.298 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -6.528 -4.324 8.487 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -5.091 -5.133 7.895 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -3.063 -4.110 10.672 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -3.157 -5.015 9.157 1.00 0.00 H new ATOM 655 N GLY A 51 -6.789 -1.201 6.991 1.00 0.00 N ATOM 656 CA GLY A 51 -7.417 0.079 7.424 1.00 0.00 C ATOM 657 C GLY A 51 -7.837 0.893 6.198 1.00 0.00 C ATOM 658 O GLY A 51 -7.311 1.958 5.939 1.00 0.00 O ATOM 0 H GLY A 51 -7.124 -1.571 6.102 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.285 -0.125 8.051 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.715 0.652 8.029 1.00 0.00 H new ATOM 662 N VAL A 52 -8.784 0.406 5.442 1.00 0.00 N ATOM 663 CA VAL A 52 -9.237 1.161 4.236 1.00 0.00 C ATOM 664 C VAL A 52 -10.741 1.441 4.325 1.00 0.00 C ATOM 665 O VAL A 52 -11.429 0.915 5.177 1.00 0.00 O ATOM 666 CB VAL A 52 -8.929 0.245 3.052 1.00 0.00 C ATOM 667 CG1 VAL A 52 -9.597 0.798 1.792 1.00 0.00 C ATOM 668 CG2 VAL A 52 -7.416 0.183 2.837 1.00 0.00 C ATOM 0 H VAL A 52 -9.263 -0.479 5.606 1.00 0.00 H new ATOM 0 HA VAL A 52 -8.739 2.126 4.141 1.00 0.00 H new ATOM 0 HB VAL A 52 -9.310 -0.755 3.258 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -9.378 0.145 0.947 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -10.675 0.846 1.943 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -9.215 1.798 1.586 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -7.195 -0.470 1.993 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -7.036 1.184 2.631 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -6.937 -0.209 3.734 1.00 0.00 H new ATOM 678 N ALA A 53 -11.257 2.267 3.455 1.00 0.00 N ATOM 679 CA ALA A 53 -12.715 2.577 3.500 1.00 0.00 C ATOM 680 C ALA A 53 -13.287 2.689 2.082 1.00 0.00 C ATOM 681 O ALA A 53 -13.336 3.756 1.504 1.00 0.00 O ATOM 682 CB ALA A 53 -12.810 3.921 4.222 1.00 0.00 C ATOM 0 H ALA A 53 -10.734 2.739 2.717 1.00 0.00 H new ATOM 0 HA ALA A 53 -13.284 1.797 4.006 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -13.855 4.221 4.296 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -12.387 3.827 5.222 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -12.255 4.674 3.663 1.00 0.00 H new ATOM 688 N ILE A 54 -13.727 1.594 1.523 1.00 0.00 N ATOM 689 CA ILE A 54 -14.305 1.635 0.148 1.00 0.00 C ATOM 690 C ILE A 54 -15.740 1.097 0.174 1.00 0.00 C ATOM 691 O ILE A 54 -16.149 0.447 1.116 1.00 0.00 O ATOM 692 CB ILE A 54 -13.401 0.729 -0.690 1.00 0.00 C ATOM 693 CG1 ILE A 54 -11.974 1.281 -0.679 1.00 0.00 C ATOM 694 CG2 ILE A 54 -13.912 0.679 -2.130 1.00 0.00 C ATOM 695 CD1 ILE A 54 -11.988 2.747 -1.113 1.00 0.00 C ATOM 0 H ILE A 54 -13.711 0.672 1.959 1.00 0.00 H new ATOM 0 HA ILE A 54 -14.349 2.645 -0.259 1.00 0.00 H new ATOM 0 HB ILE A 54 -13.409 -0.276 -0.268 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -11.546 1.191 0.319 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -11.343 0.699 -1.350 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -13.265 0.033 -2.723 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -14.928 0.285 -2.142 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -13.907 1.684 -2.553 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -10.971 3.139 -1.105 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -12.398 2.824 -2.120 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -12.605 3.324 -0.424 1.00 0.00 H new ATOM 707 N GLU A 55 -16.511 1.365 -0.844 1.00 0.00 N ATOM 708 CA GLU A 55 -17.917 0.866 -0.857 1.00 0.00 C ATOM 709 C GLU A 55 -18.392 0.618 -2.291 1.00 0.00 C ATOM 710 O GLU A 55 -18.314 1.483 -3.141 1.00 0.00 O ATOM 711 CB GLU A 55 -18.737 1.981 -0.207 1.00 0.00 C ATOM 712 CG GLU A 55 -20.183 1.515 -0.026 1.00 0.00 C ATOM 713 CD GLU A 55 -21.136 2.602 -0.525 1.00 0.00 C ATOM 714 OE1 GLU A 55 -20.837 3.766 -0.315 1.00 0.00 O ATOM 715 OE2 GLU A 55 -22.148 2.252 -1.109 1.00 0.00 O ATOM 0 H GLU A 55 -16.231 1.905 -1.663 1.00 0.00 H new ATOM 0 HA GLU A 55 -18.018 -0.082 -0.328 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -18.307 2.248 0.758 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -18.708 2.877 -0.827 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -20.350 0.590 -0.577 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -20.378 1.300 1.025 1.00 0.00 H new ATOM 722 N GLU A 56 -18.891 -0.561 -2.556 1.00 0.00 N ATOM 723 CA GLU A 56 -19.388 -0.889 -3.925 1.00 0.00 C ATOM 724 C GLU A 56 -18.500 -0.256 -5.000 1.00 0.00 C ATOM 725 O GLU A 56 -17.350 0.059 -4.764 1.00 0.00 O ATOM 726 CB GLU A 56 -20.799 -0.307 -3.981 1.00 0.00 C ATOM 727 CG GLU A 56 -20.718 1.216 -4.021 1.00 0.00 C ATOM 728 CD GLU A 56 -22.091 1.794 -4.368 1.00 0.00 C ATOM 729 OE1 GLU A 56 -23.074 1.274 -3.865 1.00 0.00 O ATOM 730 OE2 GLU A 56 -22.137 2.746 -5.129 1.00 0.00 O ATOM 0 H GLU A 56 -18.976 -1.317 -1.877 1.00 0.00 H new ATOM 0 HA GLU A 56 -19.376 -1.962 -4.114 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -21.322 -0.678 -4.862 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -21.372 -0.629 -3.111 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -20.385 1.598 -3.056 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -19.982 1.532 -4.760 1.00 0.00 H new ATOM 737 N GLY A 57 -19.026 -0.074 -6.181 1.00 0.00 N ATOM 738 CA GLY A 57 -18.217 0.532 -7.276 1.00 0.00 C ATOM 739 C GLY A 57 -18.157 2.049 -7.094 1.00 0.00 C ATOM 740 O GLY A 57 -18.908 2.788 -7.700 1.00 0.00 O ATOM 0 H GLY A 57 -19.983 -0.319 -6.435 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -17.210 0.115 -7.270 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -18.657 0.289 -8.243 1.00 0.00 H new ATOM 744 N THR A 58 -17.266 2.520 -6.266 1.00 0.00 N ATOM 745 CA THR A 58 -17.153 3.989 -6.047 1.00 0.00 C ATOM 746 C THR A 58 -15.846 4.506 -6.660 1.00 0.00 C ATOM 747 O THR A 58 -14.998 3.740 -7.071 1.00 0.00 O ATOM 748 CB THR A 58 -17.158 4.158 -4.521 1.00 0.00 C ATOM 749 OG1 THR A 58 -18.501 4.203 -4.060 1.00 0.00 O ATOM 750 CG2 THR A 58 -16.442 5.453 -4.129 1.00 0.00 C ATOM 0 H THR A 58 -16.611 1.950 -5.731 1.00 0.00 H new ATOM 0 HA THR A 58 -17.961 4.552 -6.514 1.00 0.00 H new ATOM 0 HB THR A 58 -16.637 3.315 -4.067 1.00 0.00 H new ATOM 0 HG1 THR A 58 -18.740 3.339 -3.664 1.00 0.00 H new ATOM 0 HG21 THR A 58 -16.453 5.561 -3.044 1.00 0.00 H new ATOM 0 HG22 THR A 58 -15.411 5.419 -4.480 1.00 0.00 H new ATOM 0 HG23 THR A 58 -16.952 6.303 -4.583 1.00 0.00 H new ATOM 758 N THR A 59 -15.678 5.798 -6.726 1.00 0.00 N ATOM 759 CA THR A 59 -14.428 6.358 -7.314 1.00 0.00 C ATOM 760 C THR A 59 -13.365 6.541 -6.228 1.00 0.00 C ATOM 761 O THR A 59 -13.675 6.696 -5.063 1.00 0.00 O ATOM 762 CB THR A 59 -14.835 7.711 -7.898 1.00 0.00 C ATOM 763 OG1 THR A 59 -16.059 7.571 -8.606 1.00 0.00 O ATOM 764 CG2 THR A 59 -13.745 8.206 -8.851 1.00 0.00 C ATOM 0 H THR A 59 -16.352 6.490 -6.398 1.00 0.00 H new ATOM 0 HA THR A 59 -13.999 5.700 -8.069 1.00 0.00 H new ATOM 0 HB THR A 59 -14.963 8.432 -7.091 1.00 0.00 H new ATOM 0 HG1 THR A 59 -16.322 8.438 -8.979 1.00 0.00 H new ATOM 0 HG21 THR A 59 -14.036 9.171 -9.267 1.00 0.00 H new ATOM 0 HG22 THR A 59 -12.807 8.314 -8.306 1.00 0.00 H new ATOM 0 HG23 THR A 59 -13.615 7.487 -9.660 1.00 0.00 H new ATOM 772 N TYR A 60 -12.115 6.525 -6.601 1.00 0.00 N ATOM 773 CA TYR A 60 -11.032 6.699 -5.591 1.00 0.00 C ATOM 774 C TYR A 60 -9.737 7.142 -6.275 1.00 0.00 C ATOM 775 O TYR A 60 -9.644 7.180 -7.485 1.00 0.00 O ATOM 776 CB TYR A 60 -10.849 5.319 -4.959 1.00 0.00 C ATOM 777 CG TYR A 60 -12.009 5.024 -4.040 1.00 0.00 C ATOM 778 CD1 TYR A 60 -12.100 5.663 -2.798 1.00 0.00 C ATOM 779 CD2 TYR A 60 -12.991 4.108 -4.430 1.00 0.00 C ATOM 780 CE1 TYR A 60 -13.176 5.384 -1.946 1.00 0.00 C ATOM 781 CE2 TYR A 60 -14.066 3.829 -3.579 1.00 0.00 C ATOM 782 CZ TYR A 60 -14.158 4.466 -2.337 1.00 0.00 C ATOM 783 OH TYR A 60 -15.219 4.191 -1.497 1.00 0.00 O ATOM 0 H TYR A 60 -11.796 6.399 -7.562 1.00 0.00 H new ATOM 0 HA TYR A 60 -11.282 7.459 -4.851 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -10.785 4.558 -5.736 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -9.913 5.285 -4.402 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -11.341 6.370 -2.497 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -12.920 3.616 -5.389 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -13.248 5.877 -0.988 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -14.825 3.122 -3.881 1.00 0.00 H new ATOM 0 HH TYR A 60 -15.131 4.718 -0.676 1.00 0.00 H new ATOM 793 N THR A 61 -8.735 7.470 -5.508 1.00 0.00 N ATOM 794 CA THR A 61 -7.443 7.902 -6.112 1.00 0.00 C ATOM 795 C THR A 61 -6.282 7.528 -5.189 1.00 0.00 C ATOM 796 O THR A 61 -6.174 8.018 -4.083 1.00 0.00 O ATOM 797 CB THR A 61 -7.552 9.421 -6.249 1.00 0.00 C ATOM 798 OG1 THR A 61 -8.754 9.750 -6.930 1.00 0.00 O ATOM 799 CG2 THR A 61 -6.353 9.948 -7.039 1.00 0.00 C ATOM 0 H THR A 61 -8.755 7.458 -4.488 1.00 0.00 H new ATOM 0 HA THR A 61 -7.256 7.422 -7.073 1.00 0.00 H new ATOM 0 HB THR A 61 -7.562 9.877 -5.259 1.00 0.00 H new ATOM 0 HG1 THR A 61 -8.825 10.724 -7.017 1.00 0.00 H new ATOM 0 HG21 THR A 61 -6.430 11.031 -7.137 1.00 0.00 H new ATOM 0 HG22 THR A 61 -5.432 9.696 -6.514 1.00 0.00 H new ATOM 0 HG23 THR A 61 -6.342 9.494 -8.030 1.00 0.00 H new ATOM 807 N LEU A 62 -5.413 6.663 -5.634 1.00 0.00 N ATOM 808 CA LEU A 62 -4.261 6.262 -4.778 1.00 0.00 C ATOM 809 C LEU A 62 -3.074 7.195 -5.025 1.00 0.00 C ATOM 810 O LEU A 62 -2.604 7.336 -6.138 1.00 0.00 O ATOM 811 CB LEU A 62 -3.922 4.835 -5.211 1.00 0.00 C ATOM 812 CG LEU A 62 -2.678 4.357 -4.461 1.00 0.00 C ATOM 813 CD1 LEU A 62 -2.900 4.505 -2.954 1.00 0.00 C ATOM 814 CD2 LEU A 62 -2.416 2.886 -4.794 1.00 0.00 C ATOM 0 H LEU A 62 -5.450 6.217 -6.551 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.495 6.318 -3.715 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.762 4.172 -5.004 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.747 4.802 -6.286 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.820 4.958 -4.762 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.013 4.164 -2.420 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.087 5.552 -2.715 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.758 3.905 -2.652 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.529 2.544 -4.260 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.275 2.286 -4.493 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.257 2.779 -5.867 1.00 0.00 H new ATOM 826 N ARG A 63 -2.589 7.837 -3.997 1.00 0.00 N ATOM 827 CA ARG A 63 -1.434 8.764 -4.174 1.00 0.00 C ATOM 828 C ARG A 63 -0.364 8.485 -3.115 1.00 0.00 C ATOM 829 O ARG A 63 -0.523 8.816 -1.957 1.00 0.00 O ATOM 830 CB ARG A 63 -2.018 10.164 -3.988 1.00 0.00 C ATOM 831 CG ARG A 63 -3.314 10.288 -4.790 1.00 0.00 C ATOM 832 CD ARG A 63 -3.720 11.761 -4.879 1.00 0.00 C ATOM 833 NE ARG A 63 -5.204 11.760 -4.757 1.00 0.00 N ATOM 834 CZ ARG A 63 -5.848 12.887 -4.625 1.00 0.00 C ATOM 835 NH1 ARG A 63 -5.258 14.014 -4.916 1.00 0.00 N ATOM 836 NH2 ARG A 63 -7.083 12.888 -4.203 1.00 0.00 N ATOM 0 H ARG A 63 -2.942 7.760 -3.043 1.00 0.00 H new ATOM 0 HA ARG A 63 -0.956 8.647 -5.147 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -2.212 10.351 -2.932 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -1.301 10.915 -4.318 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -3.176 9.877 -5.790 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -4.106 9.710 -4.314 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -3.259 12.346 -4.083 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -3.402 12.202 -5.824 1.00 0.00 H new ATOM 0 HE ARG A 63 -5.717 10.879 -4.777 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -4.293 14.014 -5.247 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -5.762 14.895 -4.813 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -7.545 12.007 -3.976 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -7.586 13.769 -4.100 1.00 0.00 H new ATOM 850 N TYR A 64 0.726 7.883 -3.503 1.00 0.00 N ATOM 851 CA TYR A 64 1.805 7.589 -2.517 1.00 0.00 C ATOM 852 C TYR A 64 3.180 7.769 -3.167 1.00 0.00 C ATOM 853 O TYR A 64 3.313 7.740 -4.372 1.00 0.00 O ATOM 854 CB TYR A 64 1.581 6.130 -2.104 1.00 0.00 C ATOM 855 CG TYR A 64 2.072 5.207 -3.197 1.00 0.00 C ATOM 856 CD1 TYR A 64 3.440 4.938 -3.327 1.00 0.00 C ATOM 857 CD2 TYR A 64 1.157 4.625 -4.082 1.00 0.00 C ATOM 858 CE1 TYR A 64 3.892 4.086 -4.342 1.00 0.00 C ATOM 859 CE2 TYR A 64 1.609 3.774 -5.097 1.00 0.00 C ATOM 860 CZ TYR A 64 2.977 3.504 -5.228 1.00 0.00 C ATOM 861 OH TYR A 64 3.422 2.665 -6.229 1.00 0.00 O ATOM 0 H TYR A 64 0.917 7.582 -4.459 1.00 0.00 H new ATOM 0 HA TYR A 64 1.776 8.259 -1.658 1.00 0.00 H new ATOM 0 HB2 TYR A 64 2.109 5.921 -1.174 1.00 0.00 H new ATOM 0 HB3 TYR A 64 0.522 5.954 -1.916 1.00 0.00 H new ATOM 0 HD1 TYR A 64 4.146 5.388 -2.645 1.00 0.00 H new ATOM 0 HD2 TYR A 64 0.102 4.833 -3.982 1.00 0.00 H new ATOM 0 HE1 TYR A 64 4.947 3.878 -4.442 1.00 0.00 H new ATOM 0 HE2 TYR A 64 0.903 3.325 -5.780 1.00 0.00 H new ATOM 0 HH TYR A 64 2.657 2.347 -6.753 1.00 0.00 H new ATOM 871 N THR A 65 4.203 7.952 -2.379 1.00 0.00 N ATOM 872 CA THR A 65 5.567 8.131 -2.956 1.00 0.00 C ATOM 873 C THR A 65 6.496 7.028 -2.446 1.00 0.00 C ATOM 874 O THR A 65 6.963 7.068 -1.326 1.00 0.00 O ATOM 875 CB THR A 65 6.032 9.500 -2.459 1.00 0.00 C ATOM 876 OG1 THR A 65 4.916 10.375 -2.373 1.00 0.00 O ATOM 877 CG2 THR A 65 7.061 10.076 -3.432 1.00 0.00 C ATOM 0 H THR A 65 4.155 7.985 -1.361 1.00 0.00 H new ATOM 0 HA THR A 65 5.570 8.074 -4.045 1.00 0.00 H new ATOM 0 HB THR A 65 6.487 9.394 -1.474 1.00 0.00 H new ATOM 0 HG1 THR A 65 5.212 11.253 -2.053 1.00 0.00 H new ATOM 0 HG21 THR A 65 7.392 11.052 -3.076 1.00 0.00 H new ATOM 0 HG22 THR A 65 7.917 9.404 -3.496 1.00 0.00 H new ATOM 0 HG23 THR A 65 6.609 10.183 -4.418 1.00 0.00 H new ATOM 885 N ALA A 66 6.762 6.040 -3.256 1.00 0.00 N ATOM 886 CA ALA A 66 7.655 4.932 -2.807 1.00 0.00 C ATOM 887 C ALA A 66 9.038 5.057 -3.451 1.00 0.00 C ATOM 888 O ALA A 66 9.181 5.547 -4.554 1.00 0.00 O ATOM 889 CB ALA A 66 6.964 3.652 -3.278 1.00 0.00 C ATOM 0 H ALA A 66 6.402 5.951 -4.206 1.00 0.00 H new ATOM 0 HA ALA A 66 7.809 4.946 -1.728 1.00 0.00 H new ATOM 0 HB1 ALA A 66 7.560 2.788 -2.985 1.00 0.00 H new ATOM 0 HB2 ALA A 66 5.976 3.583 -2.822 1.00 0.00 H new ATOM 0 HB3 ALA A 66 6.862 3.672 -4.363 1.00 0.00 H new ATOM 895 N THR A 67 10.056 4.611 -2.767 1.00 0.00 N ATOM 896 CA THR A 67 11.434 4.692 -3.334 1.00 0.00 C ATOM 897 C THR A 67 12.291 3.542 -2.796 1.00 0.00 C ATOM 898 O THR A 67 12.408 3.348 -1.603 1.00 0.00 O ATOM 899 CB THR A 67 11.985 6.038 -2.862 1.00 0.00 C ATOM 900 OG1 THR A 67 11.155 7.084 -3.347 1.00 0.00 O ATOM 901 CG2 THR A 67 13.408 6.223 -3.394 1.00 0.00 C ATOM 0 H THR A 67 9.994 4.193 -1.839 1.00 0.00 H new ATOM 0 HA THR A 67 11.438 4.613 -4.421 1.00 0.00 H new ATOM 0 HB THR A 67 12.001 6.063 -1.772 1.00 0.00 H new ATOM 0 HG1 THR A 67 11.124 7.809 -2.688 1.00 0.00 H new ATOM 0 HG21 THR A 67 13.800 7.183 -3.057 1.00 0.00 H new ATOM 0 HG22 THR A 67 14.043 5.420 -3.020 1.00 0.00 H new ATOM 0 HG23 THR A 67 13.395 6.198 -4.484 1.00 0.00 H new ATOM 909 N ALA A 68 12.893 2.780 -3.667 1.00 0.00 N ATOM 910 CA ALA A 68 13.743 1.647 -3.202 1.00 0.00 C ATOM 911 C ALA A 68 15.203 1.902 -3.574 1.00 0.00 C ATOM 912 O ALA A 68 15.504 2.329 -4.670 1.00 0.00 O ATOM 913 CB ALA A 68 13.214 0.417 -3.944 1.00 0.00 C ATOM 0 H ALA A 68 12.834 2.892 -4.679 1.00 0.00 H new ATOM 0 HA ALA A 68 13.702 1.519 -2.120 1.00 0.00 H new ATOM 0 HB1 ALA A 68 13.792 -0.460 -3.653 1.00 0.00 H new ATOM 0 HB2 ALA A 68 12.166 0.262 -3.690 1.00 0.00 H new ATOM 0 HB3 ALA A 68 13.307 0.572 -5.019 1.00 0.00 H new ATOM 919 N SER A 69 16.115 1.636 -2.678 1.00 0.00 N ATOM 920 CA SER A 69 17.553 1.859 -3.000 1.00 0.00 C ATOM 921 C SER A 69 17.846 1.328 -4.404 1.00 0.00 C ATOM 922 O SER A 69 18.744 1.785 -5.082 1.00 0.00 O ATOM 923 CB SER A 69 18.326 1.062 -1.950 1.00 0.00 C ATOM 924 OG SER A 69 18.801 1.948 -0.945 1.00 0.00 O ATOM 0 H SER A 69 15.928 1.276 -1.742 1.00 0.00 H new ATOM 0 HA SER A 69 17.830 2.913 -2.985 1.00 0.00 H new ATOM 0 HB2 SER A 69 17.682 0.302 -1.507 1.00 0.00 H new ATOM 0 HB3 SER A 69 19.162 0.540 -2.416 1.00 0.00 H new ATOM 0 HG SER A 69 19.296 1.440 -0.269 1.00 0.00 H new ATOM 930 N THR A 70 17.082 0.365 -4.843 1.00 0.00 N ATOM 931 CA THR A 70 17.293 -0.205 -6.202 1.00 0.00 C ATOM 932 C THR A 70 16.086 0.114 -7.093 1.00 0.00 C ATOM 933 O THR A 70 15.058 0.558 -6.623 1.00 0.00 O ATOM 934 CB THR A 70 17.413 -1.717 -5.972 1.00 0.00 C ATOM 935 OG1 THR A 70 18.092 -2.308 -7.072 1.00 0.00 O ATOM 936 CG2 THR A 70 16.016 -2.337 -5.839 1.00 0.00 C ATOM 0 H THR A 70 16.316 -0.053 -4.314 1.00 0.00 H new ATOM 0 HA THR A 70 18.172 0.203 -6.700 1.00 0.00 H new ATOM 0 HB THR A 70 17.973 -1.899 -5.055 1.00 0.00 H new ATOM 0 HG1 THR A 70 18.172 -3.274 -6.927 1.00 0.00 H new ATOM 0 HG21 THR A 70 16.108 -3.411 -5.676 1.00 0.00 H new ATOM 0 HG22 THR A 70 15.496 -1.885 -4.994 1.00 0.00 H new ATOM 0 HG23 THR A 70 15.449 -2.156 -6.752 1.00 0.00 H new ATOM 944 N ASP A 71 16.195 -0.126 -8.370 1.00 0.00 N ATOM 945 CA ASP A 71 15.046 0.144 -9.277 1.00 0.00 C ATOM 946 C ASP A 71 14.108 -1.067 -9.276 1.00 0.00 C ATOM 947 O ASP A 71 13.965 -1.757 -10.265 1.00 0.00 O ATOM 948 CB ASP A 71 15.674 0.344 -10.656 1.00 0.00 C ATOM 949 CG ASP A 71 16.247 -0.983 -11.155 1.00 0.00 C ATOM 950 OD1 ASP A 71 16.427 -1.873 -10.340 1.00 0.00 O ATOM 951 OD2 ASP A 71 16.497 -1.088 -12.345 1.00 0.00 O ATOM 0 H ASP A 71 17.030 -0.497 -8.824 1.00 0.00 H new ATOM 0 HA ASP A 71 14.458 1.011 -8.976 1.00 0.00 H new ATOM 0 HB2 ASP A 71 14.927 0.716 -11.357 1.00 0.00 H new ATOM 0 HB3 ASP A 71 16.462 1.095 -10.603 1.00 0.00 H new ATOM 956 N VAL A 72 13.485 -1.342 -8.161 1.00 0.00 N ATOM 957 CA VAL A 72 12.578 -2.522 -8.084 1.00 0.00 C ATOM 958 C VAL A 72 11.146 -2.155 -8.480 1.00 0.00 C ATOM 959 O VAL A 72 10.632 -1.114 -8.121 1.00 0.00 O ATOM 960 CB VAL A 72 12.628 -2.965 -6.618 1.00 0.00 C ATOM 961 CG1 VAL A 72 11.747 -2.046 -5.766 1.00 0.00 C ATOM 962 CG2 VAL A 72 12.113 -4.400 -6.503 1.00 0.00 C ATOM 0 H VAL A 72 13.566 -0.800 -7.301 1.00 0.00 H new ATOM 0 HA VAL A 72 12.890 -3.310 -8.770 1.00 0.00 H new ATOM 0 HB VAL A 72 13.657 -2.911 -6.263 1.00 0.00 H new ATOM 0 HG11 VAL A 72 11.787 -2.366 -4.725 1.00 0.00 H new ATOM 0 HG12 VAL A 72 12.108 -1.021 -5.844 1.00 0.00 H new ATOM 0 HG13 VAL A 72 10.718 -2.096 -6.122 1.00 0.00 H new ATOM 0 HG21 VAL A 72 12.148 -4.717 -5.461 1.00 0.00 H new ATOM 0 HG22 VAL A 72 11.085 -4.448 -6.862 1.00 0.00 H new ATOM 0 HG23 VAL A 72 12.738 -5.060 -7.104 1.00 0.00 H new ATOM 972 N THR A 73 10.496 -3.026 -9.198 1.00 0.00 N ATOM 973 CA THR A 73 9.087 -2.773 -9.607 1.00 0.00 C ATOM 974 C THR A 73 8.242 -3.983 -9.207 1.00 0.00 C ATOM 975 O THR A 73 8.061 -4.907 -9.975 1.00 0.00 O ATOM 976 CB THR A 73 9.130 -2.619 -11.129 1.00 0.00 C ATOM 977 OG1 THR A 73 9.746 -1.382 -11.459 1.00 0.00 O ATOM 978 CG2 THR A 73 7.707 -2.648 -11.687 1.00 0.00 C ATOM 0 H THR A 73 10.885 -3.912 -9.522 1.00 0.00 H new ATOM 0 HA THR A 73 8.654 -1.890 -9.137 1.00 0.00 H new ATOM 0 HB THR A 73 9.703 -3.439 -11.562 1.00 0.00 H new ATOM 0 HG1 THR A 73 9.777 -1.281 -12.433 1.00 0.00 H new ATOM 0 HG21 THR A 73 7.739 -2.538 -12.771 1.00 0.00 H new ATOM 0 HG22 THR A 73 7.236 -3.597 -11.432 1.00 0.00 H new ATOM 0 HG23 THR A 73 7.131 -1.829 -11.256 1.00 0.00 H new ATOM 986 N VAL A 74 7.744 -3.998 -8.001 1.00 0.00 N ATOM 987 CA VAL A 74 6.936 -5.166 -7.549 1.00 0.00 C ATOM 988 C VAL A 74 5.457 -4.952 -7.875 1.00 0.00 C ATOM 989 O VAL A 74 5.114 -4.441 -8.923 1.00 0.00 O ATOM 990 CB VAL A 74 7.165 -5.245 -6.035 1.00 0.00 C ATOM 991 CG1 VAL A 74 8.651 -5.035 -5.728 1.00 0.00 C ATOM 992 CG2 VAL A 74 6.349 -4.159 -5.330 1.00 0.00 C ATOM 0 H VAL A 74 7.861 -3.255 -7.312 1.00 0.00 H new ATOM 0 HA VAL A 74 7.228 -6.090 -8.048 1.00 0.00 H new ATOM 0 HB VAL A 74 6.851 -6.226 -5.679 1.00 0.00 H new ATOM 0 HG11 VAL A 74 8.812 -5.091 -4.651 1.00 0.00 H new ATOM 0 HG12 VAL A 74 9.238 -5.808 -6.224 1.00 0.00 H new ATOM 0 HG13 VAL A 74 8.962 -4.055 -6.090 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.515 -4.220 -4.254 1.00 0.00 H new ATOM 0 HG22 VAL A 74 6.660 -3.179 -5.691 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.290 -4.304 -5.542 1.00 0.00 H new ATOM 1002 N ARG A 75 4.577 -5.346 -6.996 1.00 0.00 N ATOM 1003 CA ARG A 75 3.123 -5.165 -7.277 1.00 0.00 C ATOM 1004 C ARG A 75 2.431 -4.443 -6.116 1.00 0.00 C ATOM 1005 O ARG A 75 2.811 -4.576 -4.971 1.00 0.00 O ATOM 1006 CB ARG A 75 2.574 -6.583 -7.431 1.00 0.00 C ATOM 1007 CG ARG A 75 2.665 -7.010 -8.897 1.00 0.00 C ATOM 1008 CD ARG A 75 1.640 -8.112 -9.172 1.00 0.00 C ATOM 1009 NE ARG A 75 1.909 -9.152 -8.141 1.00 0.00 N ATOM 1010 CZ ARG A 75 1.795 -10.416 -8.445 1.00 0.00 C ATOM 1011 NH1 ARG A 75 0.886 -10.803 -9.297 1.00 0.00 N ATOM 1012 NH2 ARG A 75 2.590 -11.294 -7.896 1.00 0.00 N ATOM 0 H ARG A 75 4.799 -5.783 -6.101 1.00 0.00 H new ATOM 0 HA ARG A 75 2.951 -4.557 -8.165 1.00 0.00 H new ATOM 0 HB2 ARG A 75 3.139 -7.273 -6.805 1.00 0.00 H new ATOM 0 HB3 ARG A 75 1.538 -6.622 -7.094 1.00 0.00 H new ATOM 0 HG2 ARG A 75 2.480 -6.156 -9.548 1.00 0.00 H new ATOM 0 HG3 ARG A 75 3.670 -7.369 -9.121 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.621 -7.732 -9.094 1.00 0.00 H new ATOM 0 HD3 ARG A 75 1.754 -8.515 -10.178 1.00 0.00 H new ATOM 0 HE ARG A 75 2.182 -8.877 -7.198 1.00 0.00 H new ATOM 0 HH11 ARG A 75 0.264 -10.118 -9.726 1.00 0.00 H new ATOM 0 HH12 ARG A 75 0.797 -11.791 -9.534 1.00 0.00 H new ATOM 0 HH21 ARG A 75 3.300 -10.992 -7.229 1.00 0.00 H new ATOM 0 HH22 ARG A 75 2.501 -12.282 -8.134 1.00 0.00 H new ATOM 1026 N ALA A 76 1.409 -3.685 -6.410 1.00 0.00 N ATOM 1027 CA ALA A 76 0.673 -2.957 -5.335 1.00 0.00 C ATOM 1028 C ALA A 76 -0.793 -2.788 -5.746 1.00 0.00 C ATOM 1029 O ALA A 76 -1.115 -2.748 -6.918 1.00 0.00 O ATOM 1030 CB ALA A 76 1.363 -1.597 -5.214 1.00 0.00 C ATOM 0 H ALA A 76 1.050 -3.538 -7.353 1.00 0.00 H new ATOM 0 HA ALA A 76 0.686 -3.491 -4.385 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.872 -1.008 -4.440 1.00 0.00 H new ATOM 0 HB2 ALA A 76 2.410 -1.743 -4.950 1.00 0.00 H new ATOM 0 HB3 ALA A 76 1.299 -1.070 -6.166 1.00 0.00 H new ATOM 1036 N LEU A 77 -1.684 -2.696 -4.797 1.00 0.00 N ATOM 1037 CA LEU A 77 -3.125 -2.541 -5.143 1.00 0.00 C ATOM 1038 C LEU A 77 -3.972 -2.458 -3.868 1.00 0.00 C ATOM 1039 O LEU A 77 -3.540 -1.945 -2.855 1.00 0.00 O ATOM 1040 CB LEU A 77 -3.469 -3.800 -5.945 1.00 0.00 C ATOM 1041 CG LEU A 77 -3.119 -5.045 -5.125 1.00 0.00 C ATOM 1042 CD1 LEU A 77 -4.321 -5.453 -4.271 1.00 0.00 C ATOM 1043 CD2 LEU A 77 -2.759 -6.192 -6.071 1.00 0.00 C ATOM 0 H LEU A 77 -1.477 -2.721 -3.799 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.324 -1.630 -5.708 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.530 -3.804 -6.196 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.918 -3.806 -6.886 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.271 -4.824 -4.477 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -4.069 -6.339 -3.688 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.582 -4.637 -3.597 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -5.169 -5.673 -4.919 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.510 -7.079 -5.489 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.608 -6.410 -6.718 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.902 -5.905 -6.681 1.00 0.00 H new ATOM 1055 N VAL A 78 -5.176 -2.962 -3.911 1.00 0.00 N ATOM 1056 CA VAL A 78 -6.058 -2.918 -2.709 1.00 0.00 C ATOM 1057 C VAL A 78 -7.023 -4.105 -2.742 1.00 0.00 C ATOM 1058 O VAL A 78 -7.124 -4.799 -3.735 1.00 0.00 O ATOM 1059 CB VAL A 78 -6.821 -1.597 -2.826 1.00 0.00 C ATOM 1060 CG1 VAL A 78 -7.506 -1.276 -1.497 1.00 0.00 C ATOM 1061 CG2 VAL A 78 -5.842 -0.474 -3.173 1.00 0.00 C ATOM 0 H VAL A 78 -5.589 -3.405 -4.732 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.501 -2.978 -1.774 1.00 0.00 H new ATOM 0 HB VAL A 78 -7.574 -1.685 -3.609 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -8.048 -0.334 -1.585 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -8.204 -2.074 -1.245 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.755 -1.190 -0.712 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.384 0.468 -3.257 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -5.090 -0.392 -2.388 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.354 -0.697 -4.122 1.00 0.00 H new ATOM 1071 N GLY A 79 -7.732 -4.354 -1.676 1.00 0.00 N ATOM 1072 CA GLY A 79 -8.677 -5.507 -1.683 1.00 0.00 C ATOM 1073 C GLY A 79 -9.531 -5.499 -0.415 1.00 0.00 C ATOM 1074 O GLY A 79 -9.479 -4.580 0.379 1.00 0.00 O ATOM 0 H GLY A 79 -7.700 -3.817 -0.810 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.319 -5.455 -2.562 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -8.121 -6.442 -1.749 1.00 0.00 H new ATOM 1078 N GLN A 80 -10.317 -6.524 -0.221 1.00 0.00 N ATOM 1079 CA GLN A 80 -11.180 -6.589 0.996 1.00 0.00 C ATOM 1080 C GLN A 80 -10.764 -7.770 1.875 1.00 0.00 C ATOM 1081 O GLN A 80 -10.999 -8.915 1.544 1.00 0.00 O ATOM 1082 CB GLN A 80 -12.613 -6.785 0.485 1.00 0.00 C ATOM 1083 CG GLN A 80 -12.614 -7.694 -0.744 1.00 0.00 C ATOM 1084 CD GLN A 80 -14.056 -7.978 -1.169 1.00 0.00 C ATOM 1085 OE1 GLN A 80 -14.485 -7.555 -2.224 1.00 0.00 O ATOM 1086 NE2 GLN A 80 -14.827 -8.681 -0.386 1.00 0.00 N ATOM 0 H GLN A 80 -10.399 -7.320 -0.853 1.00 0.00 H new ATOM 0 HA GLN A 80 -11.091 -5.686 1.601 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -13.231 -7.221 1.270 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -13.053 -5.820 0.233 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -12.070 -7.219 -1.561 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -12.100 -8.628 -0.519 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -14.467 -9.036 0.500 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -15.790 -8.876 -0.659 1.00 0.00 H new ATOM 1095 N ASN A 81 -10.148 -7.503 2.993 1.00 0.00 N ATOM 1096 CA ASN A 81 -9.721 -8.613 3.890 1.00 0.00 C ATOM 1097 C ASN A 81 -10.945 -9.328 4.467 1.00 0.00 C ATOM 1098 O ASN A 81 -11.484 -8.936 5.485 1.00 0.00 O ATOM 1099 CB ASN A 81 -8.918 -7.937 5.003 1.00 0.00 C ATOM 1100 CG ASN A 81 -7.444 -7.872 4.601 1.00 0.00 C ATOM 1101 OD1 ASN A 81 -7.118 -7.910 3.431 1.00 0.00 O ATOM 1102 ND2 ASN A 81 -6.531 -7.775 5.529 1.00 0.00 N ATOM 0 H ASN A 81 -9.922 -6.565 3.324 1.00 0.00 H new ATOM 0 HA ASN A 81 -9.134 -9.366 3.365 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -9.301 -6.933 5.184 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -9.028 -8.493 5.934 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -5.545 -7.731 5.272 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -6.804 -7.743 6.511 1.00 0.00 H new ATOM 1109 N GLY A 82 -11.390 -10.374 3.824 1.00 0.00 N ATOM 1110 CA GLY A 82 -12.578 -11.115 4.335 1.00 0.00 C ATOM 1111 C GLY A 82 -13.433 -11.590 3.159 1.00 0.00 C ATOM 1112 O GLY A 82 -13.554 -10.917 2.154 1.00 0.00 O ATOM 0 H GLY A 82 -10.982 -10.747 2.967 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -12.257 -11.969 4.932 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -13.167 -10.472 4.989 1.00 0.00 H new ATOM 1116 N ALA A 83 -14.026 -12.747 3.274 1.00 0.00 N ATOM 1117 CA ALA A 83 -14.872 -13.268 2.162 1.00 0.00 C ATOM 1118 C ALA A 83 -16.066 -12.337 1.922 1.00 0.00 C ATOM 1119 O ALA A 83 -16.462 -11.603 2.805 1.00 0.00 O ATOM 1120 CB ALA A 83 -15.351 -14.640 2.638 1.00 0.00 C ATOM 0 H ALA A 83 -13.961 -13.355 4.091 1.00 0.00 H new ATOM 0 HA ALA A 83 -14.324 -13.330 1.222 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -15.982 -15.091 1.872 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -14.490 -15.282 2.823 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -15.923 -14.526 3.559 1.00 0.00 H new ATOM 1126 N PRO A 84 -16.607 -12.397 0.727 1.00 0.00 N ATOM 1127 CA PRO A 84 -16.085 -13.313 -0.320 1.00 0.00 C ATOM 1128 C PRO A 84 -14.805 -12.750 -0.950 1.00 0.00 C ATOM 1129 O PRO A 84 -14.310 -13.267 -1.931 1.00 0.00 O ATOM 1130 CB PRO A 84 -17.212 -13.360 -1.347 1.00 0.00 C ATOM 1131 CG PRO A 84 -17.961 -12.076 -1.170 1.00 0.00 C ATOM 1132 CD PRO A 84 -17.756 -11.618 0.253 1.00 0.00 C ATOM 0 HA PRO A 84 -15.821 -14.296 0.071 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -16.818 -13.449 -2.359 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -17.861 -14.220 -1.180 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -17.600 -11.323 -1.870 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -19.022 -12.220 -1.376 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -17.557 -10.547 0.301 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -18.641 -11.805 0.862 1.00 0.00 H new ATOM 1140 N TYR A 85 -14.270 -11.694 -0.398 1.00 0.00 N ATOM 1141 CA TYR A 85 -13.025 -11.093 -0.964 1.00 0.00 C ATOM 1142 C TYR A 85 -13.321 -10.433 -2.315 1.00 0.00 C ATOM 1143 O TYR A 85 -14.319 -10.713 -2.949 1.00 0.00 O ATOM 1144 CB TYR A 85 -12.043 -12.256 -1.142 1.00 0.00 C ATOM 1145 CG TYR A 85 -12.120 -13.184 0.048 1.00 0.00 C ATOM 1146 CD1 TYR A 85 -11.603 -12.781 1.285 1.00 0.00 C ATOM 1147 CD2 TYR A 85 -12.706 -14.448 -0.087 1.00 0.00 C ATOM 1148 CE1 TYR A 85 -11.672 -13.642 2.387 1.00 0.00 C ATOM 1149 CE2 TYR A 85 -12.776 -15.309 1.015 1.00 0.00 C ATOM 1150 CZ TYR A 85 -12.258 -14.906 2.252 1.00 0.00 C ATOM 1151 OH TYR A 85 -12.326 -15.755 3.338 1.00 0.00 O ATOM 0 H TYR A 85 -14.643 -11.219 0.424 1.00 0.00 H new ATOM 0 HA TYR A 85 -12.618 -10.322 -0.311 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -12.276 -12.803 -2.056 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -11.028 -11.873 -1.250 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -11.151 -11.806 1.389 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -13.104 -14.759 -1.041 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -11.273 -13.331 3.341 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -13.229 -16.284 0.911 1.00 0.00 H new ATOM 0 HH TYR A 85 -12.764 -16.591 3.073 1.00 0.00 H new ATOM 1161 N GLY A 86 -12.459 -9.558 -2.759 1.00 0.00 N ATOM 1162 CA GLY A 86 -12.687 -8.879 -4.067 1.00 0.00 C ATOM 1163 C GLY A 86 -11.733 -7.689 -4.196 1.00 0.00 C ATOM 1164 O GLY A 86 -11.904 -6.671 -3.556 1.00 0.00 O ATOM 0 H GLY A 86 -11.606 -9.284 -2.272 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -12.525 -9.580 -4.886 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -13.720 -8.540 -4.138 1.00 0.00 H new ATOM 1168 N THR A 87 -10.726 -7.808 -5.018 1.00 0.00 N ATOM 1169 CA THR A 87 -9.762 -6.680 -5.179 1.00 0.00 C ATOM 1170 C THR A 87 -10.225 -5.735 -6.290 1.00 0.00 C ATOM 1171 O THR A 87 -10.902 -6.133 -7.218 1.00 0.00 O ATOM 1172 CB THR A 87 -8.434 -7.339 -5.560 1.00 0.00 C ATOM 1173 OG1 THR A 87 -8.686 -8.495 -6.348 1.00 0.00 O ATOM 1174 CG2 THR A 87 -7.675 -7.738 -4.294 1.00 0.00 C ATOM 0 H THR A 87 -10.529 -8.634 -5.583 1.00 0.00 H new ATOM 0 HA THR A 87 -9.677 -6.084 -4.270 1.00 0.00 H new ATOM 0 HB THR A 87 -7.833 -6.633 -6.133 1.00 0.00 H new ATOM 0 HG1 THR A 87 -7.835 -8.916 -6.593 1.00 0.00 H new ATOM 0 HG21 THR A 87 -6.730 -8.207 -4.569 1.00 0.00 H new ATOM 0 HG22 THR A 87 -7.478 -6.850 -3.693 1.00 0.00 H new ATOM 0 HG23 THR A 87 -8.275 -8.442 -3.717 1.00 0.00 H new ATOM 1182 N VAL A 88 -9.858 -4.485 -6.204 1.00 0.00 N ATOM 1183 CA VAL A 88 -10.269 -3.510 -7.255 1.00 0.00 C ATOM 1184 C VAL A 88 -9.028 -2.912 -7.921 1.00 0.00 C ATOM 1185 O VAL A 88 -9.068 -2.473 -9.053 1.00 0.00 O ATOM 1186 CB VAL A 88 -11.057 -2.431 -6.512 1.00 0.00 C ATOM 1187 CG1 VAL A 88 -12.270 -3.063 -5.828 1.00 0.00 C ATOM 1188 CG2 VAL A 88 -10.160 -1.779 -5.456 1.00 0.00 C ATOM 0 H VAL A 88 -9.291 -4.096 -5.451 1.00 0.00 H new ATOM 0 HA VAL A 88 -10.865 -3.972 -8.043 1.00 0.00 H new ATOM 0 HB VAL A 88 -11.393 -1.675 -7.222 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -12.831 -2.293 -5.298 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -12.910 -3.527 -6.578 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -11.935 -3.820 -5.119 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -10.722 -1.010 -4.926 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -9.823 -2.536 -4.747 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -9.295 -1.327 -5.942 1.00 0.00 H new ATOM 1198 N LEU A 89 -7.921 -2.901 -7.228 1.00 0.00 N ATOM 1199 CA LEU A 89 -6.673 -2.342 -7.822 1.00 0.00 C ATOM 1200 C LEU A 89 -5.778 -3.461 -8.352 1.00 0.00 C ATOM 1201 O LEU A 89 -5.664 -4.515 -7.758 1.00 0.00 O ATOM 1202 CB LEU A 89 -5.981 -1.605 -6.688 1.00 0.00 C ATOM 1203 CG LEU A 89 -6.416 -0.148 -6.717 1.00 0.00 C ATOM 1204 CD1 LEU A 89 -7.742 0.001 -5.978 1.00 0.00 C ATOM 1205 CD2 LEU A 89 -5.345 0.704 -6.045 1.00 0.00 C ATOM 0 H LEU A 89 -7.827 -3.255 -6.276 1.00 0.00 H new ATOM 0 HA LEU A 89 -6.889 -1.685 -8.665 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -6.239 -2.057 -5.730 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.899 -1.679 -6.794 1.00 0.00 H new ATOM 0 HG LEU A 89 -6.546 0.181 -7.748 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -8.055 1.045 -5.998 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -8.500 -0.614 -6.463 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -7.620 -0.321 -4.944 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -5.649 1.751 -6.062 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -5.217 0.380 -5.012 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -4.402 0.592 -6.580 1.00 0.00 H new ATOM 1217 N ASP A 90 -5.140 -3.237 -9.463 1.00 0.00 N ATOM 1218 CA ASP A 90 -4.243 -4.283 -10.028 1.00 0.00 C ATOM 1219 C ASP A 90 -3.120 -3.629 -10.839 1.00 0.00 C ATOM 1220 O ASP A 90 -3.126 -3.661 -12.054 1.00 0.00 O ATOM 1221 CB ASP A 90 -5.139 -5.129 -10.932 1.00 0.00 C ATOM 1222 CG ASP A 90 -5.661 -4.269 -12.084 1.00 0.00 C ATOM 1223 OD1 ASP A 90 -5.517 -3.060 -12.007 1.00 0.00 O ATOM 1224 OD2 ASP A 90 -6.195 -4.833 -13.024 1.00 0.00 O ATOM 0 H ASP A 90 -5.200 -2.375 -10.006 1.00 0.00 H new ATOM 0 HA ASP A 90 -3.767 -4.884 -9.253 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -4.580 -5.979 -11.323 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -5.974 -5.533 -10.359 1.00 0.00 H new ATOM 1229 N THR A 91 -2.161 -3.031 -10.186 1.00 0.00 N ATOM 1230 CA THR A 91 -1.053 -2.376 -10.938 1.00 0.00 C ATOM 1231 C THR A 91 0.301 -2.717 -10.310 1.00 0.00 C ATOM 1232 O THR A 91 0.377 -3.371 -9.290 1.00 0.00 O ATOM 1233 CB THR A 91 -1.332 -0.876 -10.825 1.00 0.00 C ATOM 1234 OG1 THR A 91 -1.463 -0.523 -9.456 1.00 0.00 O ATOM 1235 CG2 THR A 91 -2.626 -0.539 -11.568 1.00 0.00 C ATOM 0 H THR A 91 -2.097 -2.968 -9.170 1.00 0.00 H new ATOM 0 HA THR A 91 -1.010 -2.710 -11.975 1.00 0.00 H new ATOM 0 HB THR A 91 -0.507 -0.317 -11.267 1.00 0.00 H new ATOM 0 HG1 THR A 91 -1.640 0.438 -9.381 1.00 0.00 H new ATOM 0 HG21 THR A 91 -2.824 0.530 -11.487 1.00 0.00 H new ATOM 0 HG22 THR A 91 -2.524 -0.811 -12.619 1.00 0.00 H new ATOM 0 HG23 THR A 91 -3.454 -1.096 -11.128 1.00 0.00 H new ATOM 1243 N SER A 92 1.370 -2.274 -10.915 1.00 0.00 N ATOM 1244 CA SER A 92 2.722 -2.567 -10.358 1.00 0.00 C ATOM 1245 C SER A 92 3.466 -1.258 -10.076 1.00 0.00 C ATOM 1246 O SER A 92 3.674 -0.460 -10.968 1.00 0.00 O ATOM 1247 CB SER A 92 3.435 -3.365 -11.449 1.00 0.00 C ATOM 1248 OG SER A 92 2.500 -4.224 -12.089 1.00 0.00 O ATOM 0 H SER A 92 1.365 -1.721 -11.772 1.00 0.00 H new ATOM 0 HA SER A 92 2.674 -3.117 -9.418 1.00 0.00 H new ATOM 0 HB2 SER A 92 3.882 -2.688 -12.177 1.00 0.00 H new ATOM 0 HB3 SER A 92 4.247 -3.950 -11.016 1.00 0.00 H new ATOM 0 HG SER A 92 2.953 -4.736 -12.791 1.00 0.00 H new ATOM 1254 N PRO A 93 3.841 -1.081 -8.838 1.00 0.00 N ATOM 1255 CA PRO A 93 4.568 0.148 -8.429 1.00 0.00 C ATOM 1256 C PRO A 93 5.993 0.151 -8.988 1.00 0.00 C ATOM 1257 O PRO A 93 6.568 -0.883 -9.263 1.00 0.00 O ATOM 1258 CB PRO A 93 4.592 0.058 -6.906 1.00 0.00 C ATOM 1259 CG PRO A 93 4.461 -1.398 -6.607 1.00 0.00 C ATOM 1260 CD PRO A 93 3.628 -1.994 -7.710 1.00 0.00 C ATOM 0 HA PRO A 93 4.097 1.059 -8.797 1.00 0.00 H new ATOM 0 HB2 PRO A 93 5.519 0.463 -6.501 1.00 0.00 H new ATOM 0 HB3 PRO A 93 3.775 0.628 -6.463 1.00 0.00 H new ATOM 0 HG2 PRO A 93 5.441 -1.873 -6.562 1.00 0.00 H new ATOM 0 HG3 PRO A 93 3.987 -1.553 -5.638 1.00 0.00 H new ATOM 0 HD2 PRO A 93 3.947 -3.008 -7.950 1.00 0.00 H new ATOM 0 HD3 PRO A 93 2.575 -2.049 -7.432 1.00 0.00 H new ATOM 1268 N ALA A 94 6.567 1.311 -9.145 1.00 0.00 N ATOM 1269 CA ALA A 94 7.958 1.396 -9.672 1.00 0.00 C ATOM 1270 C ALA A 94 8.842 2.132 -8.662 1.00 0.00 C ATOM 1271 O ALA A 94 8.443 3.123 -8.084 1.00 0.00 O ATOM 1272 CB ALA A 94 7.845 2.193 -10.972 1.00 0.00 C ATOM 0 H ALA A 94 6.131 2.208 -8.930 1.00 0.00 H new ATOM 0 HA ALA A 94 8.404 0.416 -9.841 1.00 0.00 H new ATOM 0 HB1 ALA A 94 8.833 2.298 -11.421 1.00 0.00 H new ATOM 0 HB2 ALA A 94 7.186 1.669 -11.664 1.00 0.00 H new ATOM 0 HB3 ALA A 94 7.436 3.181 -10.759 1.00 0.00 H new ATOM 1278 N LEU A 95 10.033 1.653 -8.434 1.00 0.00 N ATOM 1279 CA LEU A 95 10.925 2.330 -7.450 1.00 0.00 C ATOM 1280 C LEU A 95 12.323 2.533 -8.040 1.00 0.00 C ATOM 1281 O LEU A 95 12.655 1.997 -9.078 1.00 0.00 O ATOM 1282 CB LEU A 95 10.981 1.378 -6.256 1.00 0.00 C ATOM 1283 CG LEU A 95 9.580 1.220 -5.664 1.00 0.00 C ATOM 1284 CD1 LEU A 95 9.602 0.140 -4.581 1.00 0.00 C ATOM 1285 CD2 LEU A 95 9.134 2.548 -5.048 1.00 0.00 C ATOM 0 H LEU A 95 10.427 0.826 -8.884 1.00 0.00 H new ATOM 0 HA LEU A 95 10.557 3.318 -7.174 1.00 0.00 H new ATOM 0 HB2 LEU A 95 11.367 0.408 -6.569 1.00 0.00 H new ATOM 0 HB3 LEU A 95 11.665 1.765 -5.501 1.00 0.00 H new ATOM 0 HG LEU A 95 8.884 0.931 -6.452 1.00 0.00 H new ATOM 0 HD11 LEU A 95 8.603 0.027 -4.159 1.00 0.00 H new ATOM 0 HD12 LEU A 95 9.920 -0.807 -5.018 1.00 0.00 H new ATOM 0 HD13 LEU A 95 10.298 0.429 -3.793 1.00 0.00 H new ATOM 0 HD21 LEU A 95 8.135 2.436 -4.626 1.00 0.00 H new ATOM 0 HD22 LEU A 95 9.831 2.836 -4.261 1.00 0.00 H new ATOM 0 HD23 LEU A 95 9.118 3.319 -5.818 1.00 0.00 H new ATOM 1297 N THR A 96 13.143 3.305 -7.380 1.00 0.00 N ATOM 1298 CA THR A 96 14.522 3.547 -7.893 1.00 0.00 C ATOM 1299 C THR A 96 15.321 4.371 -6.879 1.00 0.00 C ATOM 1300 O THR A 96 15.036 4.365 -5.698 1.00 0.00 O ATOM 1301 CB THR A 96 14.332 4.328 -9.196 1.00 0.00 C ATOM 1302 OG1 THR A 96 15.535 4.291 -9.950 1.00 0.00 O ATOM 1303 CG2 THR A 96 13.967 5.780 -8.881 1.00 0.00 C ATOM 0 H THR A 96 12.917 3.780 -6.506 1.00 0.00 H new ATOM 0 HA THR A 96 15.073 2.621 -8.055 1.00 0.00 H new ATOM 0 HB THR A 96 13.527 3.874 -9.774 1.00 0.00 H new ATOM 0 HG1 THR A 96 15.413 4.789 -10.785 1.00 0.00 H new ATOM 0 HG21 THR A 96 13.833 6.332 -9.812 1.00 0.00 H new ATOM 0 HG22 THR A 96 13.041 5.806 -8.307 1.00 0.00 H new ATOM 0 HG23 THR A 96 14.767 6.238 -8.300 1.00 0.00 H new ATOM 1311 N SER A 97 16.316 5.081 -7.331 1.00 0.00 N ATOM 1312 CA SER A 97 17.129 5.904 -6.390 1.00 0.00 C ATOM 1313 C SER A 97 16.525 7.304 -6.258 1.00 0.00 C ATOM 1314 O SER A 97 17.203 8.255 -5.923 1.00 0.00 O ATOM 1315 CB SER A 97 18.518 5.974 -7.022 1.00 0.00 C ATOM 1316 OG SER A 97 18.678 7.231 -7.666 1.00 0.00 O ATOM 0 H SER A 97 16.602 5.128 -8.309 1.00 0.00 H new ATOM 0 HA SER A 97 17.161 5.477 -5.388 1.00 0.00 H new ATOM 0 HB2 SER A 97 19.285 5.843 -6.258 1.00 0.00 H new ATOM 0 HB3 SER A 97 18.644 5.165 -7.742 1.00 0.00 H new ATOM 0 HG SER A 97 19.569 7.280 -8.071 1.00 0.00 H new ATOM 1322 N GLU A 98 15.254 7.435 -6.518 1.00 0.00 N ATOM 1323 CA GLU A 98 14.603 8.771 -6.406 1.00 0.00 C ATOM 1324 C GLU A 98 13.149 8.609 -5.960 1.00 0.00 C ATOM 1325 O GLU A 98 12.640 7.508 -5.889 1.00 0.00 O ATOM 1326 CB GLU A 98 14.671 9.365 -7.814 1.00 0.00 C ATOM 1327 CG GLU A 98 15.499 10.651 -7.786 1.00 0.00 C ATOM 1328 CD GLU A 98 16.784 10.449 -8.591 1.00 0.00 C ATOM 1329 OE1 GLU A 98 16.704 10.455 -9.809 1.00 0.00 O ATOM 1330 OE2 GLU A 98 17.826 10.293 -7.977 1.00 0.00 O ATOM 0 H GLU A 98 14.637 6.674 -6.803 1.00 0.00 H new ATOM 0 HA GLU A 98 15.092 9.411 -5.672 1.00 0.00 H new ATOM 0 HB2 GLU A 98 15.118 8.647 -8.502 1.00 0.00 H new ATOM 0 HB3 GLU A 98 13.666 9.575 -8.181 1.00 0.00 H new ATOM 0 HG2 GLU A 98 14.922 11.476 -8.203 1.00 0.00 H new ATOM 0 HG3 GLU A 98 15.740 10.918 -6.757 1.00 0.00 H new ATOM 1337 N PRO A 99 12.528 9.719 -5.672 1.00 0.00 N ATOM 1338 CA PRO A 99 11.114 9.706 -5.225 1.00 0.00 C ATOM 1339 C PRO A 99 10.185 9.386 -6.399 1.00 0.00 C ATOM 1340 O PRO A 99 10.238 10.018 -7.435 1.00 0.00 O ATOM 1341 CB PRO A 99 10.884 11.128 -4.722 1.00 0.00 C ATOM 1342 CG PRO A 99 11.891 11.963 -5.447 1.00 0.00 C ATOM 1343 CD PRO A 99 13.077 11.078 -5.735 1.00 0.00 C ATOM 0 HA PRO A 99 10.912 8.952 -4.464 1.00 0.00 H new ATOM 0 HB2 PRO A 99 9.868 11.462 -4.934 1.00 0.00 H new ATOM 0 HB3 PRO A 99 11.022 11.192 -3.643 1.00 0.00 H new ATOM 0 HG2 PRO A 99 11.470 12.356 -6.372 1.00 0.00 H new ATOM 0 HG3 PRO A 99 12.188 12.820 -4.842 1.00 0.00 H new ATOM 0 HD2 PRO A 99 13.505 11.291 -6.714 1.00 0.00 H new ATOM 0 HD3 PRO A 99 13.871 11.223 -5.002 1.00 0.00 H new ATOM 1351 N ARG A 100 9.331 8.412 -6.243 1.00 0.00 N ATOM 1352 CA ARG A 100 8.397 8.058 -7.349 1.00 0.00 C ATOM 1353 C ARG A 100 6.950 8.231 -6.883 1.00 0.00 C ATOM 1354 O ARG A 100 6.360 7.338 -6.306 1.00 0.00 O ATOM 1355 CB ARG A 100 8.692 6.592 -7.667 1.00 0.00 C ATOM 1356 CG ARG A 100 9.363 6.494 -9.039 1.00 0.00 C ATOM 1357 CD ARG A 100 9.561 5.023 -9.409 1.00 0.00 C ATOM 1358 NE ARG A 100 10.396 5.046 -10.642 1.00 0.00 N ATOM 1359 CZ ARG A 100 9.927 5.576 -11.739 1.00 0.00 C ATOM 1360 NH1 ARG A 100 10.023 6.862 -11.935 1.00 0.00 N ATOM 1361 NH2 ARG A 100 9.362 4.819 -12.639 1.00 0.00 N ATOM 0 H ARG A 100 9.240 7.847 -5.399 1.00 0.00 H new ATOM 0 HA ARG A 100 8.529 8.693 -8.225 1.00 0.00 H new ATOM 0 HB2 ARG A 100 9.341 6.166 -6.902 1.00 0.00 H new ATOM 0 HB3 ARG A 100 7.768 6.014 -7.660 1.00 0.00 H new ATOM 0 HG2 ARG A 100 8.749 6.989 -9.791 1.00 0.00 H new ATOM 0 HG3 ARG A 100 10.324 7.008 -9.023 1.00 0.00 H new ATOM 0 HD2 ARG A 100 10.057 4.477 -8.606 1.00 0.00 H new ATOM 0 HD3 ARG A 100 8.606 4.529 -9.588 1.00 0.00 H new ATOM 0 HE ARG A 100 11.335 4.647 -10.629 1.00 0.00 H new ATOM 0 HH11 ARG A 100 10.465 7.454 -11.231 1.00 0.00 H new ATOM 0 HH12 ARG A 100 9.657 7.276 -12.792 1.00 0.00 H new ATOM 0 HH21 ARG A 100 9.287 3.813 -12.485 1.00 0.00 H new ATOM 0 HH22 ARG A 100 8.995 5.233 -13.496 1.00 0.00 H new ATOM 1375 N GLN A 101 6.380 9.380 -7.122 1.00 0.00 N ATOM 1376 CA GLN A 101 4.974 9.622 -6.689 1.00 0.00 C ATOM 1377 C GLN A 101 3.992 8.950 -7.651 1.00 0.00 C ATOM 1378 O GLN A 101 3.729 9.441 -8.731 1.00 0.00 O ATOM 1379 CB GLN A 101 4.807 11.142 -6.729 1.00 0.00 C ATOM 1380 CG GLN A 101 3.989 11.598 -5.519 1.00 0.00 C ATOM 1381 CD GLN A 101 2.694 12.258 -5.997 1.00 0.00 C ATOM 1382 OE1 GLN A 101 2.435 12.326 -7.182 1.00 0.00 O ATOM 1383 NE2 GLN A 101 1.865 12.750 -5.119 1.00 0.00 N ATOM 0 H GLN A 101 6.827 10.163 -7.599 1.00 0.00 H new ATOM 0 HA GLN A 101 4.773 9.211 -5.699 1.00 0.00 H new ATOM 0 HB2 GLN A 101 5.784 11.626 -6.724 1.00 0.00 H new ATOM 0 HB3 GLN A 101 4.308 11.439 -7.651 1.00 0.00 H new ATOM 0 HG2 GLN A 101 3.760 10.746 -4.879 1.00 0.00 H new ATOM 0 HG3 GLN A 101 4.568 12.301 -4.919 1.00 0.00 H new ATOM 0 HE21 GLN A 101 2.083 12.693 -4.124 1.00 0.00 H new ATOM 0 HE22 GLN A 101 0.999 13.192 -5.427 1.00 0.00 H new ATOM 1392 N VAL A 102 3.442 7.832 -7.264 1.00 0.00 N ATOM 1393 CA VAL A 102 2.472 7.129 -8.149 1.00 0.00 C ATOM 1394 C VAL A 102 1.054 7.634 -7.869 1.00 0.00 C ATOM 1395 O VAL A 102 0.643 7.762 -6.733 1.00 0.00 O ATOM 1396 CB VAL A 102 2.596 5.653 -7.774 1.00 0.00 C ATOM 1397 CG1 VAL A 102 1.451 4.866 -8.414 1.00 0.00 C ATOM 1398 CG2 VAL A 102 3.933 5.109 -8.279 1.00 0.00 C ATOM 0 H VAL A 102 3.623 7.374 -6.371 1.00 0.00 H new ATOM 0 HA VAL A 102 2.672 7.299 -9.207 1.00 0.00 H new ATOM 0 HB VAL A 102 2.547 5.549 -6.690 1.00 0.00 H new ATOM 0 HG11 VAL A 102 1.539 3.813 -8.147 1.00 0.00 H new ATOM 0 HG12 VAL A 102 0.498 5.253 -8.054 1.00 0.00 H new ATOM 0 HG13 VAL A 102 1.499 4.970 -9.498 1.00 0.00 H new ATOM 0 HG21 VAL A 102 4.022 4.056 -8.012 1.00 0.00 H new ATOM 0 HG22 VAL A 102 3.982 5.214 -9.363 1.00 0.00 H new ATOM 0 HG23 VAL A 102 4.749 5.669 -7.823 1.00 0.00 H new ATOM 1408 N THR A 103 0.303 7.924 -8.895 1.00 0.00 N ATOM 1409 CA THR A 103 -1.087 8.423 -8.683 1.00 0.00 C ATOM 1410 C THR A 103 -2.000 7.943 -9.813 1.00 0.00 C ATOM 1411 O THR A 103 -1.663 8.034 -10.977 1.00 0.00 O ATOM 1412 CB THR A 103 -0.967 9.947 -8.700 1.00 0.00 C ATOM 1413 OG1 THR A 103 0.355 10.320 -8.336 1.00 0.00 O ATOM 1414 CG2 THR A 103 -1.961 10.552 -7.708 1.00 0.00 C ATOM 0 H THR A 103 0.590 7.838 -9.870 1.00 0.00 H new ATOM 0 HA THR A 103 -1.519 8.059 -7.751 1.00 0.00 H new ATOM 0 HB THR A 103 -1.188 10.317 -9.701 1.00 0.00 H new ATOM 0 HG1 THR A 103 0.434 11.297 -8.348 1.00 0.00 H new ATOM 0 HG21 THR A 103 -1.873 11.638 -7.722 1.00 0.00 H new ATOM 0 HG22 THR A 103 -2.975 10.266 -7.988 1.00 0.00 H new ATOM 0 HG23 THR A 103 -1.744 10.183 -6.705 1.00 0.00 H new ATOM 1422 N GLU A 104 -3.153 7.431 -9.480 1.00 0.00 N ATOM 1423 CA GLU A 104 -4.084 6.946 -10.541 1.00 0.00 C ATOM 1424 C GLU A 104 -5.511 6.854 -9.995 1.00 0.00 C ATOM 1425 O GLU A 104 -5.742 6.354 -8.912 1.00 0.00 O ATOM 1426 CB GLU A 104 -3.563 5.559 -10.920 1.00 0.00 C ATOM 1427 CG GLU A 104 -2.535 5.691 -12.045 1.00 0.00 C ATOM 1428 CD GLU A 104 -2.874 4.707 -13.166 1.00 0.00 C ATOM 1429 OE1 GLU A 104 -2.694 3.518 -12.958 1.00 0.00 O ATOM 1430 OE2 GLU A 104 -3.307 5.158 -14.214 1.00 0.00 O ATOM 0 H GLU A 104 -3.491 7.327 -8.523 1.00 0.00 H new ATOM 0 HA GLU A 104 -4.118 7.618 -11.399 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -3.109 5.080 -10.053 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -4.389 4.923 -11.240 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -2.532 6.710 -12.431 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -1.534 5.492 -11.662 1.00 0.00 H new ATOM 1437 N THR A 105 -6.471 7.331 -10.740 1.00 0.00 N ATOM 1438 CA THR A 105 -7.884 7.268 -10.266 1.00 0.00 C ATOM 1439 C THR A 105 -8.541 5.968 -10.739 1.00 0.00 C ATOM 1440 O THR A 105 -8.280 5.490 -11.826 1.00 0.00 O ATOM 1441 CB THR A 105 -8.569 8.479 -10.903 1.00 0.00 C ATOM 1442 OG1 THR A 105 -7.805 9.647 -10.637 1.00 0.00 O ATOM 1443 CG2 THR A 105 -9.973 8.640 -10.318 1.00 0.00 C ATOM 0 H THR A 105 -6.339 7.761 -11.655 1.00 0.00 H new ATOM 0 HA THR A 105 -7.958 7.284 -9.179 1.00 0.00 H new ATOM 0 HB THR A 105 -8.643 8.330 -11.980 1.00 0.00 H new ATOM 0 HG1 THR A 105 -8.241 10.423 -11.046 1.00 0.00 H new ATOM 0 HG21 THR A 105 -10.460 9.503 -10.773 1.00 0.00 H new ATOM 0 HG22 THR A 105 -10.558 7.743 -10.524 1.00 0.00 H new ATOM 0 HG23 THR A 105 -9.903 8.789 -9.240 1.00 0.00 H new ATOM 1451 N PHE A 106 -9.389 5.392 -9.933 1.00 0.00 N ATOM 1452 CA PHE A 106 -10.058 4.122 -10.338 1.00 0.00 C ATOM 1453 C PHE A 106 -11.395 3.971 -9.608 1.00 0.00 C ATOM 1454 O PHE A 106 -11.628 4.583 -8.585 1.00 0.00 O ATOM 1455 CB PHE A 106 -9.092 3.016 -9.916 1.00 0.00 C ATOM 1456 CG PHE A 106 -9.071 2.918 -8.410 1.00 0.00 C ATOM 1457 CD1 PHE A 106 -9.968 2.069 -7.751 1.00 0.00 C ATOM 1458 CD2 PHE A 106 -8.156 3.678 -7.671 1.00 0.00 C ATOM 1459 CE1 PHE A 106 -9.951 1.979 -6.354 1.00 0.00 C ATOM 1460 CE2 PHE A 106 -8.139 3.588 -6.274 1.00 0.00 C ATOM 1461 CZ PHE A 106 -9.036 2.739 -5.616 1.00 0.00 C ATOM 0 H PHE A 106 -9.648 5.745 -9.012 1.00 0.00 H new ATOM 0 HA PHE A 106 -10.274 4.092 -11.406 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -9.399 2.064 -10.349 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -8.091 3.229 -10.292 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -10.674 1.483 -8.321 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -7.464 4.333 -8.179 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -10.643 1.324 -5.846 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -7.433 4.174 -5.704 1.00 0.00 H new ATOM 0 HZ PHE A 106 -9.022 2.670 -4.538 1.00 0.00 H new ATOM 1471 N THR A 107 -12.275 3.156 -10.124 1.00 0.00 N ATOM 1472 CA THR A 107 -13.595 2.963 -9.457 1.00 0.00 C ATOM 1473 C THR A 107 -13.562 1.708 -8.581 1.00 0.00 C ATOM 1474 O THR A 107 -13.888 0.624 -9.021 1.00 0.00 O ATOM 1475 CB THR A 107 -14.597 2.794 -10.600 1.00 0.00 C ATOM 1476 OG1 THR A 107 -14.633 3.983 -11.376 1.00 0.00 O ATOM 1477 CG2 THR A 107 -15.987 2.516 -10.024 1.00 0.00 C ATOM 0 H THR A 107 -12.137 2.616 -10.978 1.00 0.00 H new ATOM 0 HA THR A 107 -13.857 3.798 -8.808 1.00 0.00 H new ATOM 0 HB THR A 107 -14.293 1.958 -11.230 1.00 0.00 H new ATOM 0 HG1 THR A 107 -15.273 3.875 -12.110 1.00 0.00 H new ATOM 0 HG21 THR A 107 -16.701 2.396 -10.839 1.00 0.00 H new ATOM 0 HG22 THR A 107 -15.958 1.603 -9.429 1.00 0.00 H new ATOM 0 HG23 THR A 107 -16.293 3.351 -9.394 1.00 0.00 H new ATOM 1485 N ALA A 108 -13.170 1.847 -7.344 1.00 0.00 N ATOM 1486 CA ALA A 108 -13.116 0.662 -6.442 1.00 0.00 C ATOM 1487 C ALA A 108 -14.394 -0.170 -6.581 1.00 0.00 C ATOM 1488 O ALA A 108 -15.448 0.212 -6.112 1.00 0.00 O ATOM 1489 CB ALA A 108 -13.005 1.243 -5.032 1.00 0.00 C ATOM 0 H ALA A 108 -12.885 2.729 -6.919 1.00 0.00 H new ATOM 0 HA ALA A 108 -12.282 0.002 -6.678 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -12.960 0.431 -4.306 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -12.101 1.847 -4.957 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -13.875 1.866 -4.826 1.00 0.00 H new ATOM 1495 N SER A 109 -14.309 -1.303 -7.223 1.00 0.00 N ATOM 1496 CA SER A 109 -15.520 -2.157 -7.391 1.00 0.00 C ATOM 1497 C SER A 109 -15.642 -3.140 -6.224 1.00 0.00 C ATOM 1498 O SER A 109 -15.741 -4.336 -6.415 1.00 0.00 O ATOM 1499 CB SER A 109 -15.296 -2.907 -8.703 1.00 0.00 C ATOM 1500 OG SER A 109 -14.569 -4.100 -8.444 1.00 0.00 O ATOM 0 H SER A 109 -13.455 -1.674 -7.638 1.00 0.00 H new ATOM 0 HA SER A 109 -16.439 -1.571 -7.408 1.00 0.00 H new ATOM 0 HB2 SER A 109 -16.253 -3.144 -9.167 1.00 0.00 H new ATOM 0 HB3 SER A 109 -14.748 -2.279 -9.405 1.00 0.00 H new ATOM 0 HG SER A 109 -15.141 -4.734 -7.964 1.00 0.00 H new ATOM 1506 N ALA A 110 -15.635 -2.645 -5.016 1.00 0.00 N ATOM 1507 CA ALA A 110 -15.750 -3.553 -3.839 1.00 0.00 C ATOM 1508 C ALA A 110 -16.099 -2.750 -2.583 1.00 0.00 C ATOM 1509 O ALA A 110 -16.616 -1.653 -2.659 1.00 0.00 O ATOM 1510 CB ALA A 110 -14.371 -4.197 -3.699 1.00 0.00 C ATOM 0 H ALA A 110 -15.555 -1.653 -4.793 1.00 0.00 H new ATOM 0 HA ALA A 110 -16.536 -4.298 -3.967 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -14.374 -4.882 -2.851 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -14.132 -4.747 -4.609 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -13.622 -3.422 -3.537 1.00 0.00 H new ATOM 1516 N THR A 111 -15.819 -3.288 -1.427 1.00 0.00 N ATOM 1517 CA THR A 111 -16.135 -2.555 -0.168 1.00 0.00 C ATOM 1518 C THR A 111 -15.067 -2.838 0.893 1.00 0.00 C ATOM 1519 O THR A 111 -14.870 -3.965 1.302 1.00 0.00 O ATOM 1520 CB THR A 111 -17.492 -3.101 0.279 1.00 0.00 C ATOM 1521 OG1 THR A 111 -18.396 -3.069 -0.817 1.00 0.00 O ATOM 1522 CG2 THR A 111 -18.039 -2.244 1.421 1.00 0.00 C ATOM 0 H THR A 111 -15.386 -4.203 -1.300 1.00 0.00 H new ATOM 0 HA THR A 111 -16.158 -1.475 -0.315 1.00 0.00 H new ATOM 0 HB THR A 111 -17.375 -4.128 0.625 1.00 0.00 H new ATOM 0 HG1 THR A 111 -19.266 -3.420 -0.534 1.00 0.00 H new ATOM 0 HG21 THR A 111 -19.006 -2.635 1.738 1.00 0.00 H new ATOM 0 HG22 THR A 111 -17.344 -2.270 2.260 1.00 0.00 H new ATOM 0 HG23 THR A 111 -18.157 -1.216 1.080 1.00 0.00 H new ATOM 1530 N TYR A 112 -14.382 -1.823 1.343 1.00 0.00 N ATOM 1531 CA TYR A 112 -13.329 -2.028 2.380 1.00 0.00 C ATOM 1532 C TYR A 112 -13.717 -1.304 3.674 1.00 0.00 C ATOM 1533 O TYR A 112 -13.039 -0.388 4.096 1.00 0.00 O ATOM 1534 CB TYR A 112 -12.058 -1.409 1.791 1.00 0.00 C ATOM 1535 CG TYR A 112 -11.692 -2.095 0.493 1.00 0.00 C ATOM 1536 CD1 TYR A 112 -12.178 -3.377 0.206 1.00 0.00 C ATOM 1537 CD2 TYR A 112 -10.859 -1.443 -0.426 1.00 0.00 C ATOM 1538 CE1 TYR A 112 -11.832 -4.004 -0.999 1.00 0.00 C ATOM 1539 CE2 TYR A 112 -10.516 -2.069 -1.630 1.00 0.00 C ATOM 1540 CZ TYR A 112 -11.002 -3.349 -1.916 1.00 0.00 C ATOM 1541 OH TYR A 112 -10.667 -3.962 -3.105 1.00 0.00 O ATOM 0 H TYR A 112 -14.506 -0.858 1.037 1.00 0.00 H new ATOM 0 HA TYR A 112 -13.195 -3.082 2.625 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -12.211 -0.344 1.617 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -11.237 -1.501 2.503 1.00 0.00 H new ATOM 0 HD1 TYR A 112 -12.819 -3.882 0.913 1.00 0.00 H new ATOM 0 HD2 TYR A 112 -10.481 -0.456 -0.205 1.00 0.00 H new ATOM 0 HE1 TYR A 112 -12.206 -4.993 -1.220 1.00 0.00 H new ATOM 0 HE2 TYR A 112 -9.876 -1.564 -2.338 1.00 0.00 H new ATOM 0 HH TYR A 112 -11.138 -4.818 -3.176 1.00 0.00 H new ATOM 1551 N PRO A 113 -14.800 -1.737 4.260 1.00 0.00 N ATOM 1552 CA PRO A 113 -15.285 -1.117 5.519 1.00 0.00 C ATOM 1553 C PRO A 113 -14.370 -1.488 6.690 1.00 0.00 C ATOM 1554 O PRO A 113 -13.805 -2.563 6.733 1.00 0.00 O ATOM 1555 CB PRO A 113 -16.676 -1.719 5.703 1.00 0.00 C ATOM 1556 CG PRO A 113 -16.636 -3.014 4.956 1.00 0.00 C ATOM 1557 CD PRO A 113 -15.668 -2.833 3.815 1.00 0.00 C ATOM 0 HA PRO A 113 -15.298 -0.028 5.481 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -16.902 -1.878 6.758 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -17.448 -1.059 5.308 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -16.316 -3.826 5.609 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -17.627 -3.276 4.584 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -15.098 -3.743 3.626 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -16.185 -2.583 2.888 1.00 0.00 H new ATOM 1565 N ALA A 114 -14.220 -0.607 7.641 1.00 0.00 N ATOM 1566 CA ALA A 114 -13.343 -0.910 8.808 1.00 0.00 C ATOM 1567 C ALA A 114 -14.069 -1.832 9.791 1.00 0.00 C ATOM 1568 O ALA A 114 -13.563 -2.147 10.850 1.00 0.00 O ATOM 1569 CB ALA A 114 -13.061 0.447 9.453 1.00 0.00 C ATOM 0 H ALA A 114 -14.667 0.310 7.661 1.00 0.00 H new ATOM 0 HA ALA A 114 -12.426 -1.420 8.514 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -12.419 0.310 10.323 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -12.562 1.096 8.733 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -14.000 0.904 9.764 1.00 0.00 H new ATOM 1661 N GLU A 122 -13.468 -6.202 5.632 1.00 0.00 N ATOM 1662 CA GLU A 122 -12.853 -4.852 5.466 1.00 0.00 C ATOM 1663 C GLU A 122 -11.896 -4.855 4.272 1.00 0.00 C ATOM 1664 O GLU A 122 -11.896 -5.769 3.472 1.00 0.00 O ATOM 1665 CB GLU A 122 -12.101 -4.588 6.776 1.00 0.00 C ATOM 1666 CG GLU A 122 -10.757 -5.323 6.770 1.00 0.00 C ATOM 1667 CD GLU A 122 -10.600 -6.112 8.071 1.00 0.00 C ATOM 1668 OE1 GLU A 122 -10.495 -5.484 9.112 1.00 0.00 O ATOM 1669 OE2 GLU A 122 -10.588 -7.330 8.004 1.00 0.00 O ATOM 0 HA GLU A 122 -13.595 -4.078 5.271 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -11.938 -3.518 6.901 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -12.702 -4.920 7.622 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -10.703 -5.997 5.915 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -9.940 -4.609 6.665 1.00 0.00 H new ATOM 1676 N GLY A 123 -11.081 -3.843 4.143 1.00 0.00 N ATOM 1677 CA GLY A 123 -10.130 -3.798 2.996 1.00 0.00 C ATOM 1678 C GLY A 123 -8.819 -3.147 3.434 1.00 0.00 C ATOM 1679 O GLY A 123 -8.766 -2.425 4.410 1.00 0.00 O ATOM 0 H GLY A 123 -11.033 -3.048 4.780 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -9.941 -4.807 2.629 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -10.568 -3.236 2.171 1.00 0.00 H new ATOM 1683 N GLN A 124 -7.758 -3.403 2.719 1.00 0.00 N ATOM 1684 CA GLN A 124 -6.445 -2.806 3.092 1.00 0.00 C ATOM 1685 C GLN A 124 -5.581 -2.603 1.844 1.00 0.00 C ATOM 1686 O GLN A 124 -6.076 -2.542 0.734 1.00 0.00 O ATOM 1687 CB GLN A 124 -5.803 -3.835 4.022 1.00 0.00 C ATOM 1688 CG GLN A 124 -5.408 -5.075 3.217 1.00 0.00 C ATOM 1689 CD GLN A 124 -3.895 -5.281 3.305 1.00 0.00 C ATOM 1690 OE1 GLN A 124 -3.254 -4.780 4.208 1.00 0.00 O ATOM 1691 NE2 GLN A 124 -3.293 -6.002 2.400 1.00 0.00 N ATOM 0 H GLN A 124 -7.744 -4.000 1.892 1.00 0.00 H new ATOM 0 HA GLN A 124 -6.552 -1.830 3.566 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -4.924 -3.407 4.504 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -6.500 -4.109 4.814 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -5.928 -5.952 3.602 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -5.710 -4.957 2.176 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -3.831 -6.422 1.642 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -2.284 -6.145 2.450 1.00 0.00 H new ATOM 1700 N ILE A 125 -4.290 -2.513 2.022 1.00 0.00 N ATOM 1701 CA ILE A 125 -3.381 -2.326 0.855 1.00 0.00 C ATOM 1702 C ILE A 125 -2.433 -3.520 0.760 1.00 0.00 C ATOM 1703 O ILE A 125 -1.946 -4.020 1.756 1.00 0.00 O ATOM 1704 CB ILE A 125 -2.602 -1.038 1.152 1.00 0.00 C ATOM 1705 CG1 ILE A 125 -3.447 0.171 0.741 1.00 0.00 C ATOM 1706 CG2 ILE A 125 -1.284 -1.028 0.365 1.00 0.00 C ATOM 1707 CD1 ILE A 125 -3.085 1.369 1.620 1.00 0.00 C ATOM 0 H ILE A 125 -3.825 -2.561 2.928 1.00 0.00 H new ATOM 0 HA ILE A 125 -3.918 -2.256 -0.091 1.00 0.00 H new ATOM 0 HB ILE A 125 -2.382 -0.991 2.219 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -3.273 0.410 -0.308 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -4.507 -0.061 0.843 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -0.738 -0.110 0.582 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -0.680 -1.887 0.656 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -1.497 -1.080 -0.703 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -3.686 2.230 1.328 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -3.282 1.127 2.664 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -2.028 1.606 1.495 1.00 0.00 H new ATOM 1719 N ALA A 126 -2.175 -3.990 -0.427 1.00 0.00 N ATOM 1720 CA ALA A 126 -1.269 -5.160 -0.574 1.00 0.00 C ATOM 1721 C ALA A 126 -0.023 -4.787 -1.378 1.00 0.00 C ATOM 1722 O ALA A 126 -0.106 -4.364 -2.514 1.00 0.00 O ATOM 1723 CB ALA A 126 -2.095 -6.205 -1.324 1.00 0.00 C ATOM 0 H ALA A 126 -2.551 -3.616 -1.298 1.00 0.00 H new ATOM 0 HA ALA A 126 -0.917 -5.525 0.391 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -1.496 -7.103 -1.473 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -2.983 -6.453 -0.742 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -2.396 -5.804 -2.292 1.00 0.00 H new ATOM 1729 N PHE A 127 1.131 -4.977 -0.800 1.00 0.00 N ATOM 1730 CA PHE A 127 2.403 -4.671 -1.516 1.00 0.00 C ATOM 1731 C PHE A 127 3.171 -5.982 -1.675 1.00 0.00 C ATOM 1732 O PHE A 127 3.732 -6.506 -0.733 1.00 0.00 O ATOM 1733 CB PHE A 127 3.168 -3.705 -0.600 1.00 0.00 C ATOM 1734 CG PHE A 127 2.818 -2.266 -0.929 1.00 0.00 C ATOM 1735 CD1 PHE A 127 1.717 -1.970 -1.744 1.00 0.00 C ATOM 1736 CD2 PHE A 127 3.606 -1.224 -0.420 1.00 0.00 C ATOM 1737 CE1 PHE A 127 1.407 -0.640 -2.050 1.00 0.00 C ATOM 1738 CE2 PHE A 127 3.294 0.106 -0.726 1.00 0.00 C ATOM 1739 CZ PHE A 127 2.195 0.398 -1.541 1.00 0.00 C ATOM 0 H PHE A 127 1.249 -5.335 0.148 1.00 0.00 H new ATOM 0 HA PHE A 127 2.253 -4.231 -2.502 1.00 0.00 H new ATOM 0 HB2 PHE A 127 2.926 -3.915 0.442 1.00 0.00 H new ATOM 0 HB3 PHE A 127 4.241 -3.859 -0.715 1.00 0.00 H new ATOM 0 HD1 PHE A 127 1.107 -2.770 -2.137 1.00 0.00 H new ATOM 0 HD2 PHE A 127 4.455 -1.448 0.209 1.00 0.00 H new ATOM 0 HE1 PHE A 127 0.559 -0.415 -2.680 1.00 0.00 H new ATOM 0 HE2 PHE A 127 3.902 0.907 -0.333 1.00 0.00 H new ATOM 0 HZ PHE A 127 1.955 1.424 -1.777 1.00 0.00 H new ATOM 1749 N GLN A 128 3.155 -6.543 -2.852 1.00 0.00 N ATOM 1750 CA GLN A 128 3.832 -7.852 -3.060 1.00 0.00 C ATOM 1751 C GLN A 128 5.302 -7.695 -3.457 1.00 0.00 C ATOM 1752 O GLN A 128 5.643 -7.668 -4.624 1.00 0.00 O ATOM 1753 CB GLN A 128 3.049 -8.517 -4.192 1.00 0.00 C ATOM 1754 CG GLN A 128 1.600 -8.734 -3.753 1.00 0.00 C ATOM 1755 CD GLN A 128 1.576 -9.522 -2.441 1.00 0.00 C ATOM 1756 OE1 GLN A 128 1.715 -8.954 -1.376 1.00 0.00 O ATOM 1757 NE2 GLN A 128 1.406 -10.815 -2.473 1.00 0.00 N ATOM 0 H GLN A 128 2.703 -6.151 -3.678 1.00 0.00 H new ATOM 0 HA GLN A 128 3.839 -8.437 -2.140 1.00 0.00 H new ATOM 0 HB2 GLN A 128 3.080 -7.893 -5.085 1.00 0.00 H new ATOM 0 HB3 GLN A 128 3.507 -9.471 -4.454 1.00 0.00 H new ATOM 0 HG2 GLN A 128 1.101 -7.774 -3.622 1.00 0.00 H new ATOM 0 HG3 GLN A 128 1.052 -9.275 -4.525 1.00 0.00 H new ATOM 0 HE21 GLN A 128 1.289 -11.292 -3.367 1.00 0.00 H new ATOM 0 HE22 GLN A 128 1.390 -11.349 -1.604 1.00 0.00 H new ATOM 1766 N LEU A 129 6.174 -7.637 -2.489 1.00 0.00 N ATOM 1767 CA LEU A 129 7.631 -7.543 -2.794 1.00 0.00 C ATOM 1768 C LEU A 129 8.222 -8.960 -2.773 1.00 0.00 C ATOM 1769 O LEU A 129 9.258 -9.208 -2.187 1.00 0.00 O ATOM 1770 CB LEU A 129 8.243 -6.700 -1.671 1.00 0.00 C ATOM 1771 CG LEU A 129 7.413 -5.437 -1.442 1.00 0.00 C ATOM 1772 CD1 LEU A 129 8.078 -4.588 -0.356 1.00 0.00 C ATOM 1773 CD2 LEU A 129 7.335 -4.630 -2.739 1.00 0.00 C ATOM 0 H LEU A 129 5.940 -7.651 -1.496 1.00 0.00 H new ATOM 0 HA LEU A 129 7.828 -7.097 -3.769 1.00 0.00 H new ATOM 0 HB2 LEU A 129 8.289 -7.285 -0.752 1.00 0.00 H new ATOM 0 HB3 LEU A 129 9.267 -6.429 -1.928 1.00 0.00 H new ATOM 0 HG LEU A 129 6.407 -5.715 -1.129 1.00 0.00 H new ATOM 0 HD11 LEU A 129 7.490 -3.686 -0.189 1.00 0.00 H new ATOM 0 HD12 LEU A 129 8.135 -5.161 0.570 1.00 0.00 H new ATOM 0 HD13 LEU A 129 9.083 -4.312 -0.674 1.00 0.00 H new ATOM 0 HD21 LEU A 129 6.743 -3.730 -2.573 1.00 0.00 H new ATOM 0 HD22 LEU A 129 8.340 -4.350 -3.054 1.00 0.00 H new ATOM 0 HD23 LEU A 129 6.867 -5.234 -3.516 1.00 0.00 H new ATOM 1785 N GLY A 130 7.549 -9.898 -3.385 1.00 0.00 N ATOM 1786 CA GLY A 130 8.050 -11.304 -3.380 1.00 0.00 C ATOM 1787 C GLY A 130 8.778 -11.624 -4.686 1.00 0.00 C ATOM 1788 O GLY A 130 8.255 -11.431 -5.766 1.00 0.00 O ATOM 0 H GLY A 130 6.674 -9.752 -3.888 1.00 0.00 H new ATOM 0 HA2 GLY A 130 8.724 -11.452 -2.537 1.00 0.00 H new ATOM 0 HA3 GLY A 130 7.215 -11.992 -3.245 1.00 0.00 H new ATOM 1792 N GLY A 131 9.981 -12.129 -4.582 1.00 0.00 N ATOM 1793 CA GLY A 131 10.769 -12.490 -5.797 1.00 0.00 C ATOM 1794 C GLY A 131 10.520 -11.468 -6.913 1.00 0.00 C ATOM 1795 O GLY A 131 9.908 -11.774 -7.917 1.00 0.00 O ATOM 0 H GLY A 131 10.455 -12.308 -3.697 1.00 0.00 H new ATOM 0 HA2 GLY A 131 11.831 -12.522 -5.554 1.00 0.00 H new ATOM 0 HA3 GLY A 131 10.489 -13.487 -6.138 1.00 0.00 H new ATOM 1799 N PHE A 132 10.985 -10.257 -6.750 1.00 0.00 N ATOM 1800 CA PHE A 132 10.765 -9.227 -7.810 1.00 0.00 C ATOM 1801 C PHE A 132 12.099 -8.646 -8.290 1.00 0.00 C ATOM 1802 O PHE A 132 12.418 -8.698 -9.462 1.00 0.00 O ATOM 1803 CB PHE A 132 9.911 -8.144 -7.151 1.00 0.00 C ATOM 1804 CG PHE A 132 8.449 -8.459 -7.366 1.00 0.00 C ATOM 1805 CD1 PHE A 132 7.866 -8.248 -8.621 1.00 0.00 C ATOM 1806 CD2 PHE A 132 7.679 -8.964 -6.313 1.00 0.00 C ATOM 1807 CE1 PHE A 132 6.512 -8.542 -8.823 1.00 0.00 C ATOM 1808 CE2 PHE A 132 6.325 -9.259 -6.515 1.00 0.00 C ATOM 1809 CZ PHE A 132 5.741 -9.048 -7.770 1.00 0.00 C ATOM 0 H PHE A 132 11.505 -9.937 -5.933 1.00 0.00 H new ATOM 0 HA PHE A 132 10.277 -9.650 -8.688 1.00 0.00 H new ATOM 0 HB2 PHE A 132 10.130 -8.091 -6.085 1.00 0.00 H new ATOM 0 HB3 PHE A 132 10.150 -7.169 -7.574 1.00 0.00 H new ATOM 0 HD1 PHE A 132 8.461 -7.858 -9.434 1.00 0.00 H new ATOM 0 HD2 PHE A 132 8.129 -9.126 -5.345 1.00 0.00 H new ATOM 0 HE1 PHE A 132 6.063 -8.378 -9.791 1.00 0.00 H new ATOM 0 HE2 PHE A 132 5.731 -9.650 -5.702 1.00 0.00 H new ATOM 0 HZ PHE A 132 4.697 -9.275 -7.925 1.00 0.00 H new ATOM 1819 N SER A 133 12.883 -8.089 -7.405 1.00 0.00 N ATOM 1820 CA SER A 133 14.188 -7.507 -7.839 1.00 0.00 C ATOM 1821 C SER A 133 15.288 -8.573 -7.800 1.00 0.00 C ATOM 1822 O SER A 133 15.040 -9.724 -7.502 1.00 0.00 O ATOM 1823 CB SER A 133 14.482 -6.398 -6.831 1.00 0.00 C ATOM 1824 OG SER A 133 15.889 -6.258 -6.684 1.00 0.00 O ATOM 0 H SER A 133 12.679 -8.012 -6.409 1.00 0.00 H new ATOM 0 HA SER A 133 14.150 -7.131 -8.861 1.00 0.00 H new ATOM 0 HB2 SER A 133 14.045 -5.458 -7.169 1.00 0.00 H new ATOM 0 HB3 SER A 133 14.026 -6.634 -5.870 1.00 0.00 H new ATOM 0 HG SER A 133 16.131 -6.358 -5.740 1.00 0.00 H new ATOM 1830 N ALA A 134 16.501 -8.199 -8.107 1.00 0.00 N ATOM 1831 CA ALA A 134 17.615 -9.191 -8.093 1.00 0.00 C ATOM 1832 C ALA A 134 18.324 -9.172 -6.737 1.00 0.00 C ATOM 1833 O ALA A 134 18.024 -9.955 -5.859 1.00 0.00 O ATOM 1834 CB ALA A 134 18.565 -8.735 -9.201 1.00 0.00 C ATOM 0 H ALA A 134 16.769 -7.250 -8.367 1.00 0.00 H new ATOM 0 HA ALA A 134 17.262 -10.210 -8.252 1.00 0.00 H new ATOM 0 HB1 ALA A 134 19.414 -9.416 -9.255 1.00 0.00 H new ATOM 0 HB2 ALA A 134 18.038 -8.736 -10.155 1.00 0.00 H new ATOM 0 HB3 ALA A 134 18.921 -7.728 -8.984 1.00 0.00 H new ATOM 1840 N ASP A 135 19.262 -8.282 -6.557 1.00 0.00 N ATOM 1841 CA ASP A 135 19.984 -8.216 -5.255 1.00 0.00 C ATOM 1842 C ASP A 135 19.035 -7.738 -4.154 1.00 0.00 C ATOM 1843 O ASP A 135 17.876 -7.469 -4.398 1.00 0.00 O ATOM 1844 CB ASP A 135 21.108 -7.202 -5.474 1.00 0.00 C ATOM 1845 CG ASP A 135 22.217 -7.842 -6.312 1.00 0.00 C ATOM 1846 OD1 ASP A 135 21.918 -8.302 -7.401 1.00 0.00 O ATOM 1847 OD2 ASP A 135 23.345 -7.861 -5.849 1.00 0.00 O ATOM 0 H ASP A 135 19.559 -7.599 -7.254 1.00 0.00 H new ATOM 0 HA ASP A 135 20.370 -9.187 -4.945 1.00 0.00 H new ATOM 0 HB2 ASP A 135 20.721 -6.317 -5.979 1.00 0.00 H new ATOM 0 HB3 ASP A 135 21.507 -6.872 -4.515 1.00 0.00 H new ATOM 1852 N ALA A 136 19.514 -7.636 -2.946 1.00 0.00 N ATOM 1853 CA ALA A 136 18.634 -7.183 -1.831 1.00 0.00 C ATOM 1854 C ALA A 136 18.388 -5.675 -1.916 1.00 0.00 C ATOM 1855 O ALA A 136 19.309 -4.891 -2.031 1.00 0.00 O ATOM 1856 CB ALA A 136 19.403 -7.528 -0.556 1.00 0.00 C ATOM 0 H ALA A 136 20.476 -7.846 -2.682 1.00 0.00 H new ATOM 0 HA ALA A 136 17.655 -7.661 -1.863 1.00 0.00 H new ATOM 0 HB1 ALA A 136 18.820 -7.225 0.314 1.00 0.00 H new ATOM 0 HB2 ALA A 136 19.580 -8.603 -0.518 1.00 0.00 H new ATOM 0 HB3 ALA A 136 20.358 -7.003 -0.554 1.00 0.00 H new ATOM 1862 N TRP A 137 17.152 -5.264 -1.846 1.00 0.00 N ATOM 1863 CA TRP A 137 16.847 -3.807 -1.906 1.00 0.00 C ATOM 1864 C TRP A 137 15.860 -3.439 -0.805 1.00 0.00 C ATOM 1865 O TRP A 137 15.742 -4.131 0.187 1.00 0.00 O ATOM 1866 CB TRP A 137 16.258 -3.559 -3.298 1.00 0.00 C ATOM 1867 CG TRP A 137 14.866 -4.105 -3.403 1.00 0.00 C ATOM 1868 CD1 TRP A 137 13.740 -3.355 -3.458 1.00 0.00 C ATOM 1869 CD2 TRP A 137 14.429 -5.494 -3.493 1.00 0.00 C ATOM 1870 NE1 TRP A 137 12.647 -4.196 -3.577 1.00 0.00 N ATOM 1871 CE2 TRP A 137 13.019 -5.518 -3.601 1.00 0.00 C ATOM 1872 CE3 TRP A 137 15.109 -6.722 -3.490 1.00 0.00 C ATOM 1873 CZ2 TRP A 137 12.309 -6.713 -3.706 1.00 0.00 C ATOM 1874 CZ3 TRP A 137 14.397 -7.927 -3.593 1.00 0.00 C ATOM 1875 CH2 TRP A 137 13.000 -7.923 -3.701 1.00 0.00 C ATOM 0 H TRP A 137 16.340 -5.874 -1.750 1.00 0.00 H new ATOM 0 HA TRP A 137 17.733 -3.192 -1.750 1.00 0.00 H new ATOM 0 HB2 TRP A 137 16.248 -2.489 -3.506 1.00 0.00 H new ATOM 0 HB3 TRP A 137 16.892 -4.025 -4.052 1.00 0.00 H new ATOM 0 HD1 TRP A 137 13.701 -2.277 -3.416 1.00 0.00 H new ATOM 0 HE1 TRP A 137 11.682 -3.873 -3.639 1.00 0.00 H new ATOM 0 HE3 TRP A 137 16.186 -6.740 -3.408 1.00 0.00 H new ATOM 0 HZ2 TRP A 137 11.232 -6.701 -3.791 1.00 0.00 H new ATOM 0 HZ3 TRP A 137 14.931 -8.866 -3.589 1.00 0.00 H new ATOM 0 HH2 TRP A 137 12.460 -8.855 -3.780 1.00 0.00 H new ATOM 1886 N THR A 138 15.169 -2.348 -0.947 1.00 0.00 N ATOM 1887 CA THR A 138 14.221 -1.947 0.124 1.00 0.00 C ATOM 1888 C THR A 138 13.185 -0.955 -0.420 1.00 0.00 C ATOM 1889 O THR A 138 13.291 -0.475 -1.531 1.00 0.00 O ATOM 1890 CB THR A 138 15.136 -1.320 1.193 1.00 0.00 C ATOM 1891 OG1 THR A 138 15.005 -2.049 2.404 1.00 0.00 O ATOM 1892 CG2 THR A 138 14.777 0.151 1.449 1.00 0.00 C ATOM 0 H THR A 138 15.218 -1.721 -1.750 1.00 0.00 H new ATOM 0 HA THR A 138 13.634 -2.773 0.526 1.00 0.00 H new ATOM 0 HB THR A 138 16.163 -1.362 0.829 1.00 0.00 H new ATOM 0 HG1 THR A 138 14.070 -2.029 2.698 1.00 0.00 H new ATOM 0 HG21 THR A 138 15.443 0.561 2.209 1.00 0.00 H new ATOM 0 HG22 THR A 138 14.887 0.719 0.525 1.00 0.00 H new ATOM 0 HG23 THR A 138 13.746 0.219 1.795 1.00 0.00 H new ATOM 1900 N LEU A 139 12.190 -0.644 0.362 1.00 0.00 N ATOM 1901 CA LEU A 139 11.150 0.320 -0.098 1.00 0.00 C ATOM 1902 C LEU A 139 11.074 1.497 0.875 1.00 0.00 C ATOM 1903 O LEU A 139 11.466 1.389 2.019 1.00 0.00 O ATOM 1904 CB LEU A 139 9.840 -0.468 -0.092 1.00 0.00 C ATOM 1905 CG LEU A 139 9.633 -1.125 -1.457 1.00 0.00 C ATOM 1906 CD1 LEU A 139 10.266 -2.518 -1.457 1.00 0.00 C ATOM 1907 CD2 LEU A 139 8.134 -1.246 -1.742 1.00 0.00 C ATOM 0 H LEU A 139 12.051 -1.016 1.302 1.00 0.00 H new ATOM 0 HA LEU A 139 11.367 0.728 -1.085 1.00 0.00 H new ATOM 0 HB2 LEU A 139 9.864 -1.228 0.689 1.00 0.00 H new ATOM 0 HB3 LEU A 139 9.005 0.195 0.134 1.00 0.00 H new ATOM 0 HG LEU A 139 10.103 -0.514 -2.228 1.00 0.00 H new ATOM 0 HD11 LEU A 139 10.118 -2.985 -2.431 1.00 0.00 H new ATOM 0 HD12 LEU A 139 11.334 -2.433 -1.254 1.00 0.00 H new ATOM 0 HD13 LEU A 139 9.798 -3.130 -0.686 1.00 0.00 H new ATOM 0 HD21 LEU A 139 7.985 -1.714 -2.715 1.00 0.00 H new ATOM 0 HD22 LEU A 139 7.665 -1.856 -0.970 1.00 0.00 H new ATOM 0 HD23 LEU A 139 7.683 -0.254 -1.744 1.00 0.00 H new ATOM 1919 N CYS A 140 10.580 2.621 0.436 1.00 0.00 N ATOM 1920 CA CYS A 140 10.491 3.793 1.352 1.00 0.00 C ATOM 1921 C CYS A 140 9.311 4.688 0.970 1.00 0.00 C ATOM 1922 O CYS A 140 9.440 5.595 0.172 1.00 0.00 O ATOM 1923 CB CYS A 140 11.812 4.541 1.171 1.00 0.00 C ATOM 1924 SG CYS A 140 13.077 3.797 2.230 1.00 0.00 S ATOM 0 H CYS A 140 10.236 2.779 -0.511 1.00 0.00 H new ATOM 0 HA CYS A 140 10.331 3.490 2.387 1.00 0.00 H new ATOM 0 HB2 CYS A 140 12.126 4.500 0.128 1.00 0.00 H new ATOM 0 HB3 CYS A 140 11.684 5.593 1.424 1.00 0.00 H new ATOM 1929 N LEU A 141 8.163 4.450 1.544 1.00 0.00 N ATOM 1930 CA LEU A 141 6.981 5.299 1.224 1.00 0.00 C ATOM 1931 C LEU A 141 6.933 6.484 2.193 1.00 0.00 C ATOM 1932 O LEU A 141 7.938 6.873 2.754 1.00 0.00 O ATOM 1933 CB LEU A 141 5.767 4.387 1.414 1.00 0.00 C ATOM 1934 CG LEU A 141 5.930 3.133 0.551 1.00 0.00 C ATOM 1935 CD1 LEU A 141 5.772 1.888 1.424 1.00 0.00 C ATOM 1936 CD2 LEU A 141 4.862 3.123 -0.548 1.00 0.00 C ATOM 0 H LEU A 141 7.993 3.705 2.220 1.00 0.00 H new ATOM 0 HA LEU A 141 7.014 5.707 0.214 1.00 0.00 H new ATOM 0 HB2 LEU A 141 5.668 4.109 2.463 1.00 0.00 H new ATOM 0 HB3 LEU A 141 4.855 4.916 1.137 1.00 0.00 H new ATOM 0 HG LEU A 141 6.920 3.135 0.095 1.00 0.00 H new ATOM 0 HD11 LEU A 141 5.888 0.995 0.809 1.00 0.00 H new ATOM 0 HD12 LEU A 141 6.533 1.892 2.205 1.00 0.00 H new ATOM 0 HD13 LEU A 141 4.783 1.887 1.881 1.00 0.00 H new ATOM 0 HD21 LEU A 141 4.979 2.230 -1.161 1.00 0.00 H new ATOM 0 HD22 LEU A 141 3.872 3.123 -0.093 1.00 0.00 H new ATOM 0 HD23 LEU A 141 4.974 4.009 -1.173 1.00 0.00 H new ATOM 1948 N ASP A 142 5.782 7.061 2.400 1.00 0.00 N ATOM 1949 CA ASP A 142 5.696 8.219 3.340 1.00 0.00 C ATOM 1950 C ASP A 142 4.279 8.797 3.351 1.00 0.00 C ATOM 1951 O ASP A 142 3.700 9.028 4.393 1.00 0.00 O ATOM 1952 CB ASP A 142 6.686 9.249 2.793 1.00 0.00 C ATOM 1953 CG ASP A 142 6.522 9.362 1.276 1.00 0.00 C ATOM 1954 OD1 ASP A 142 7.073 8.527 0.576 1.00 0.00 O ATOM 1955 OD2 ASP A 142 5.850 10.281 0.839 1.00 0.00 O ATOM 0 H ASP A 142 4.902 6.785 1.964 1.00 0.00 H new ATOM 0 HA ASP A 142 5.928 7.930 4.365 1.00 0.00 H new ATOM 0 HB2 ASP A 142 6.514 10.218 3.261 1.00 0.00 H new ATOM 0 HB3 ASP A 142 7.706 8.954 3.038 1.00 0.00 H new ATOM 1960 N ASP A 143 3.719 9.037 2.201 1.00 0.00 N ATOM 1961 CA ASP A 143 2.343 9.606 2.147 1.00 0.00 C ATOM 1962 C ASP A 143 1.403 8.646 1.419 1.00 0.00 C ATOM 1963 O ASP A 143 1.751 8.072 0.408 1.00 0.00 O ATOM 1964 CB ASP A 143 2.485 10.912 1.365 1.00 0.00 C ATOM 1965 CG ASP A 143 1.256 11.789 1.608 1.00 0.00 C ATOM 1966 OD1 ASP A 143 0.945 12.032 2.763 1.00 0.00 O ATOM 1967 OD2 ASP A 143 0.647 12.204 0.636 1.00 0.00 O ATOM 0 H ASP A 143 4.153 8.864 1.294 1.00 0.00 H new ATOM 0 HA ASP A 143 1.924 9.769 3.140 1.00 0.00 H new ATOM 0 HB2 ASP A 143 3.387 11.438 1.676 1.00 0.00 H new ATOM 0 HB3 ASP A 143 2.590 10.701 0.301 1.00 0.00 H new ATOM 1972 N VAL A 144 0.214 8.466 1.923 1.00 0.00 N ATOM 1973 CA VAL A 144 -0.744 7.542 1.250 1.00 0.00 C ATOM 1974 C VAL A 144 -2.182 8.000 1.502 1.00 0.00 C ATOM 1975 O VAL A 144 -2.668 7.966 2.615 1.00 0.00 O ATOM 1976 CB VAL A 144 -0.498 6.169 1.881 1.00 0.00 C ATOM 1977 CG1 VAL A 144 -1.085 5.084 0.977 1.00 0.00 C ATOM 1978 CG2 VAL A 144 1.007 5.934 2.039 1.00 0.00 C ATOM 0 H VAL A 144 -0.136 8.916 2.769 1.00 0.00 H new ATOM 0 HA VAL A 144 -0.600 7.519 0.170 1.00 0.00 H new ATOM 0 HB VAL A 144 -0.975 6.132 2.860 1.00 0.00 H new ATOM 0 HG11 VAL A 144 -0.911 4.105 1.424 1.00 0.00 H new ATOM 0 HG12 VAL A 144 -2.157 5.246 0.863 1.00 0.00 H new ATOM 0 HG13 VAL A 144 -0.606 5.127 -0.001 1.00 0.00 H new ATOM 0 HG21 VAL A 144 1.177 4.956 2.488 1.00 0.00 H new ATOM 0 HG22 VAL A 144 1.486 5.972 1.061 1.00 0.00 H new ATOM 0 HG23 VAL A 144 1.431 6.707 2.681 1.00 0.00 H new ATOM 1988 N ALA A 145 -2.865 8.430 0.477 1.00 0.00 N ATOM 1989 CA ALA A 145 -4.271 8.891 0.662 1.00 0.00 C ATOM 1990 C ALA A 145 -5.202 8.155 -0.304 1.00 0.00 C ATOM 1991 O ALA A 145 -4.794 7.711 -1.360 1.00 0.00 O ATOM 1992 CB ALA A 145 -4.243 10.386 0.344 1.00 0.00 C ATOM 0 H ALA A 145 -2.512 8.482 -0.479 1.00 0.00 H new ATOM 0 HA ALA A 145 -4.640 8.695 1.669 1.00 0.00 H new ATOM 0 HB1 ALA A 145 -5.244 10.801 0.458 1.00 0.00 H new ATOM 0 HB2 ALA A 145 -3.561 10.891 1.028 1.00 0.00 H new ATOM 0 HB3 ALA A 145 -3.903 10.534 -0.681 1.00 0.00 H new ATOM 1998 N LEU A 146 -6.451 8.024 0.050 1.00 0.00 N ATOM 1999 CA LEU A 146 -7.413 7.317 -0.845 1.00 0.00 C ATOM 2000 C LEU A 146 -8.848 7.715 -0.491 1.00 0.00 C ATOM 2001 O LEU A 146 -9.448 7.170 0.414 1.00 0.00 O ATOM 2002 CB LEU A 146 -7.184 5.830 -0.575 1.00 0.00 C ATOM 2003 CG LEU A 146 -8.038 4.999 -1.533 1.00 0.00 C ATOM 2004 CD1 LEU A 146 -7.758 5.432 -2.973 1.00 0.00 C ATOM 2005 CD2 LEU A 146 -7.690 3.518 -1.370 1.00 0.00 C ATOM 0 H LEU A 146 -6.848 8.376 0.921 1.00 0.00 H new ATOM 0 HA LEU A 146 -7.264 7.566 -1.896 1.00 0.00 H new ATOM 0 HB2 LEU A 146 -6.130 5.584 -0.705 1.00 0.00 H new ATOM 0 HB3 LEU A 146 -7.442 5.593 0.457 1.00 0.00 H new ATOM 0 HG LEU A 146 -9.093 5.153 -1.306 1.00 0.00 H new ATOM 0 HD11 LEU A 146 -8.367 4.840 -3.656 1.00 0.00 H new ATOM 0 HD12 LEU A 146 -8.004 6.487 -3.090 1.00 0.00 H new ATOM 0 HD13 LEU A 146 -6.703 5.278 -3.201 1.00 0.00 H new ATOM 0 HD21 LEU A 146 -8.298 2.924 -2.052 1.00 0.00 H new ATOM 0 HD22 LEU A 146 -6.635 3.365 -1.597 1.00 0.00 H new ATOM 0 HD23 LEU A 146 -7.889 3.208 -0.344 1.00 0.00 H new ATOM 2017 N ASP A 147 -9.403 8.662 -1.197 1.00 0.00 N ATOM 2018 CA ASP A 147 -10.798 9.094 -0.898 1.00 0.00 C ATOM 2019 C ASP A 147 -11.682 8.925 -2.136 1.00 0.00 C ATOM 2020 O ASP A 147 -11.199 8.767 -3.239 1.00 0.00 O ATOM 2021 CB ASP A 147 -10.683 10.571 -0.520 1.00 0.00 C ATOM 2022 CG ASP A 147 -12.069 11.123 -0.183 1.00 0.00 C ATOM 2023 OD1 ASP A 147 -12.572 10.800 0.881 1.00 0.00 O ATOM 2024 OD2 ASP A 147 -12.606 11.858 -0.996 1.00 0.00 O ATOM 0 H ASP A 147 -8.951 9.155 -1.967 1.00 0.00 H new ATOM 0 HA ASP A 147 -11.251 8.503 -0.102 1.00 0.00 H new ATOM 0 HB2 ASP A 147 -10.016 10.687 0.334 1.00 0.00 H new ATOM 0 HB3 ASP A 147 -10.246 11.135 -1.344 1.00 0.00 H new ATOM 2029 N SER A 148 -12.975 8.958 -1.962 1.00 0.00 N ATOM 2030 CA SER A 148 -13.890 8.799 -3.129 1.00 0.00 C ATOM 2031 C SER A 148 -14.620 10.114 -3.413 1.00 0.00 C ATOM 2032 O SER A 148 -15.455 10.549 -2.644 1.00 0.00 O ATOM 2033 CB SER A 148 -14.882 7.715 -2.711 1.00 0.00 C ATOM 2034 OG SER A 148 -14.867 7.584 -1.295 1.00 0.00 O ATOM 0 H SER A 148 -13.438 9.088 -1.062 1.00 0.00 H new ATOM 0 HA SER A 148 -13.354 8.531 -4.039 1.00 0.00 H new ATOM 0 HB2 SER A 148 -15.884 7.972 -3.053 1.00 0.00 H new ATOM 0 HB3 SER A 148 -14.619 6.766 -3.178 1.00 0.00 H new ATOM 0 HG SER A 148 -14.663 6.656 -1.054 1.00 0.00 H new